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己烯雌酚 | 6898-97-1

己烯雌酚
4-4-(4-hydroxyphenyl)hex-3-en-3-ylphenol
6898-97-1
C18H20O2
268.3502
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:己烯雌酚结构式
448537
己烯雌酚价格
名称和标识符
MDL MFCD00002373
InChIKey RGLYKWWBQGJZGM-ISLYRVAYSA-N
Inchi 1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
SMILES O([H])C1C([H])=C([H])C(=C([H])C=1[H])/C(/C([H])([H])C([H])([H])[H])=C(/C1C([H])=C([H])C(=C([H])C=1[H])O[H])\C([H])([H])C([H])([H])[H]
别名信息
- 中文别名 -
  • 己烯雌酚
  • (E)-4,4'-(1,2-二乙基-1,2-亚乙烯基)双苯酚
  • (E,Z)-4,4'-(1,2-二乙基-1,2-亚乙烯基)双苯酚
  • Diethylstilbestrol ; 己烯雌酚
  • 己烯雌酚(顺反异构混合物)
  • 己烯雌酚,分析标准品
  • (E,Z)-己烯雌酚
- 英文别名 -
  • Diethylstilbestrol
  • DES
  • 4,4'-Hex-3-ene-3,4-diyldiphenol
  • (E,Z)-3,4-bis(4-hydroxyphenyl)hex-3-ene
  • Diethylstilbestrol Solution
  • DIETHYLSTILBESTROL, USP STANDARD
  • Diethylstilbestrol,mixture of cis and trans
  • Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-
  • α,α'-Diethyl-4,4'-stilbenediol-d4
  • Stilbestrol
  • Stilboestrol
  • Distilbene
  • Agostilben
  • Estrobene
  • Estromenin
  • Stilboestroform
  • Vagestrol
  • Synestrin
  • Palestrol
  • Stilbetin
  • Antigestil
  • Fonatol
  • Diethylstilbesterol
  • Synthoestrin
  • Stilbestrone
  • Oestromensyl
  • Oestrogenine
  • Menostilbeen
  • Oestromienin
  • Syntofolin
  • Pabestrol
  • Synthofolin
  • Oestromenin
  • Iscovesco
  • Estrosyn
  • Domestrol
  • Comestrol
  • Microest
  • Stilbofolin
  • Stilboefral
  • Sexocretin
  • Milestrol
  • Grafestrol
  • Dyestrol
  • Cyren A
  • Micrest
  • Serral
  • Makarol
  • Stilkap
  • Diastyl
  • Cyren
  • Desma
  • Sibol
  • Bufon
  • OeK
  • 4-4-(4-hydroxyphenyl)hex-3-en-3-ylphenol
  • Comestrol estrobene
  • Hi-Bestrol
  • Stilbestroform
  • trans-.alpha.,.alpha.'-diethyl-4-4'-stilbenediol
  • DES (synthetic estrogen)
  • 4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol, trans
  • cis-Diethylstilbesterol
  • DIETHYLSTILBESTROL [ORANGE BOOK]
  • CS-0369240
  • CCRIS 240
  • Phenol,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-
  • 6898-97-1
  • DIETHYLSTILBESTROL (diethylstilbestr
  • D81873
  • NSC3070
  • HMS3650A09
  • NCGC00090749-02
  • NS00010902
  • Diethylstilbestrol, United States Pharmacopeia (USP) Reference Standard
  • 3erd
  • (E)-4,4'-(hex-3-ene-3,4-diyl)diphenol
  • Bertrol
  • WLN: QR DY2&UY2&R DQ
  • Z2568587997
  • trans-.alpha.,4'-stilbenediol
  • InChI=1/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
  • DTXSID3020465
  • Bio-des
  • Rumestrol 1
  • Prestwick_1070
  • MLS002222298
  • AKOS005111142
  • 4, .alpha.,.alpha.'-diethyl-, (E)-
  • SW197137-4
  • DIETHYLSTILBESTROL [HSDB]
  • D00577
  • NSC756736
  • Dietilstilbestrolo
  • HMS2097G14
  • LS-14649
  • 4, 2,2'-diethyl-
  • .alpha.,.alpha.'-Diethyl-(E)-4,4'-stilbenediol
  • Oestromensil
  • Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-
  • GTPL2801
  • HMS1570G14
  • DTXCID1020770
  • A831077
  • Di-Estryl
  • REGID_for_CID_448537
  • DIETHYLSTILBESTROL [USP-RS]
  • Stilbol
  • Tylosterone
  • BDBM20625
  • 4,4'[(1E)-1,2-diethyl-1,2-ethenediyl]bis-phenol
  • (Z,E)-Diethylstilbestrol
  • Estrogenine
  • SR-01000745070-9
  • New-Estranol 1
  • SR-01000745070-3
  • SPECTRUM1500244
  • trans-Diethylstilbesterol
  • STIL
  • Estilbin MCO
  • Destrol
  • NSC 3070
  • DIETHYLSTILBESTROL [MI]
  • IDI1_000519
  • s1859
  • UNII-731DCA35BT
  • Spectrum5_000799
  • NCGC00090749-07
  • Tampovagan
  • Dietilestilbestrol [INN-Spanish]
  • NSC-756736
  • Gynopharm
  • Dawe's destrol
  • EINECS 200-278-5
  • BRD-K45330754-001-09-2
  • 4,4'-Dihydroxy-alpha,beta-diethylstilbene
  • HMS2232N11
  • (E)-Diethylstilbestrol
  • Diethylstilbestrolum [INN-Latin]
  • trans-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol
  • HMS2090C14
  • neo-Oestranol 1
  • Oestromon
  • 4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-
  • Tox21_111005
  • RCRA waste no. U089
  • 4,4'-Stilbenediol, .alpha.,.alpha.'-diethyl-, (E)-
  • 4,4'-Stilbenediol, alpha,alpha'-diethyl-, (Z)-
  • Stilbestrol, diethyl-
  • NCGC00090749-06
  • Dietilestilbestrol [Spanish]
  • OeKolp
  • BPBio1_000850
  • DIETHYLSTILBESTROL [VANDF]
  • SMR000058263
  • Diaethylstilboestrolum
  • Prestwick2_000756
  • CHEMBL411
  • 3,4'-Dihydroxyphenyl)hex-3-ene
  • 3,4-Bis(p-hydroxyphenyl)-3-hexene, trans
  • Phenol, 4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-
  • 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol
  • CAS-6898-97-1
  • 4, .alpha.,.alpha.'-diethyl-
  • DiBestrol 2 Premix
  • DIETHYLSTILBESTROL [USP MONOGRAPH]
  • 731DCA35BT
  • MFCD00002373
  • (E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol
  • Phenol 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-
  • HSDB 3060
  • 4,4'-(3-HEXENE-3,4-DIYL)DIPHENOL
  • DIETHYLSTILBESTROL [MART.]
  • NCGC00090749-01
  • Synthestrin
  • Pharmakon1600-01500244
  • Tox21_202407
  • Estilbin ''MCO''
  • Diethylstilbestrol [USP:INN:BAN]
  • 4,4'-Dihydroxy-.alpha.,.beta.-diethylstilbene
  • Climaterine
  • NCGC00090749-09
  • trans-.alpha.,.alpha.'-Diethyl-4,4'-stilbenediol
  • cis-Des
  • Dibestrol
  • trans-Diethylstilboesterol
  • DTXCID10465
  • (Z)-4,4'-(1,2-Diethyl-1,2-ethylenediyl)bisphenol
  • Dietilstilbestrolo [DCIT]
  • E-Diethylstilbestrol
  • NCGC00254539-01
  • Stilbestro
  • Dietilestilbestrol
  • Tampovagan stilboestrol
  • MLS000028447
  • HY-14598
  • 4,4'-Stilbenediol, .alpha.,.alpha.-diethyl-, (E)-
  • BRD-K17084514-001-01-7
  • diethylstilbestrol (DES)
  • trans-Diethylstilbestrol
  • Acnestrol
  • 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
  • strobene
  • DB00255
  • 3-Hexene,4-bis(p-hydroxyphenyl)-
  • SR-01000745070
  • NCGC00090749-05
  • 3-Hexene,3,4-bis(p-hydroxyphenyl)-, (E)-
  • MG 137
  • NSC-3070
  • Phenol, 4,4'-((1E)-1,2-diethyl-1,2-ethenediyl)bis-
  • Stilbestrol (TN)
  • Tox21_111005_1
  • HMS501J21
  • CHEBI:92795
  • Sedestran
  • HMS3714G14
  • NCGC00090749-15
  • 4,4'-(Hex-3-ene-3,4-diyl)diphenol
  • diethylstilbestrol
  • .alpha.,.alpha.'-Diethyl-4,4'-stilbenediol
  • BRN 2056095
  • Protectona
  • BSPBio_002201
  • Diethylstilboesterol
  • Diethylstilbestrol, European Pharmacopoeia (EP) Reference Standard
  • BOVINE MUSCLE (diethylstilbestrol blank)
  • NCGC00090749-12
  • DIETHYLSTILBESTROL [EP MONOGRAPH]
  • DIETHYLSTILBESTROL [WHO-DD]
  • 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
  • C07620
  • SR-01000745070-5
  • CAS-56-53-1
  • Diethyl stilbestrol
  • Prestwick3_000756
  • DIETHYLSTILBESTROL [INN]
  • Neo-Oestranol I
  • BSPBio_000772
  • cis-alpha,alpha'-Diethyl-4,4'-stilbenediol
  • Diethylstilbestrolum
  • EN300-1268179
  • MLS002174252
  • BIDD:ER0159
  • (E)-3,4-Bis(4-hydroxyphenyl)-3-hexene
  • AS-13377
  • 56-53-1
  • NCGC00090749-04
  • Stil-Rol
  • Rcra waste number U089
  • HMS1920G08
  • SCHEMBL9223
  • Idroestril
  • Tox21_300526
  • Diethylstilbestrol (USP/INN)
  • Dibestrol '2' premix
  • 4,4'-Dihydroxydiethylstilbene
  • D0526
  • .alpha.,.alpha.'-Diethylstilbenediol
  • Estril
  • RGLYKWWBQGJZGM-ISLYRVAYSA-
  • Stibilium
  • trans-Diethyl Stilbestrol
  • SR-01000745070-4
  • CHEBI:41922
  • NCGC00259956-01
  • Phenol, 4,4'-(1,2-diethyl-1,2-ethylenediyl)bis-, (Z)-
  • Q423989
  • TRANS-DIETHYSTILBESTEROL
  • NCGC00090749-03
  • Sintestrol
  • EN300-120642
  • 3,4-(Di-4-hydroxyphenyl)hex-3-ene, (E)-
  • Diethylstilbestrol [Nonsteroidal oestrogens]
  • Oestrol vetag
  • 3,4-Bis(p-hydroxyphenyl)-3-hexene
  • Diethylstilbestrol, VETRANAL(TM), analytical standard
  • HMS2091M18
  • Percutatrine oestrogenique iscovesco
  • Diethylstilbestrol, >=99% (HPLC)
  • CCG-38961
  • alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol
  • alpha,alpha'-Diethylstilbenediol
  • DTXSID3040770
  • Dicorvin
  • SBI-0051346.P003
  • 4,2-Diethyl-1,2-ethenediyl)bisphenol
  • 4-[(E)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenol
  • NCGC00090749-08
  • DIETHYLSTILBESTROL [IARC]
  • 4, .alpha.,.alpha.-diethyl-
  • Rumestrol 2
物化性质
实验特性
LogP 4.82860
PSA 40.46000
Merck 3129
沸点 407.102 °C at 760 mmHg
熔点 169.0 to 173.0 deg-C
闪点 186.946 °C
密度 1.108
计算特性
精确分子量 268.14600
氢键供体数量 2
氢键受体数量 2
可旋转化学键数量 4
同位素质量 268.14633
重原子数量 20
复杂度 286
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 1
共价键单元数量 1
疏水参数计算参考值(XlogP) 5.1
互变异构体数量 9
表面电荷 0
拓扑分子极性表面积 40.5
国际标准相关数据
EINECS 200-278-5
海关数据
海关编码 2942000000
海关数据

中国海关编码:

2942000000
生产方法和用途
用途 用于生化研究。研究氟的探测剂。
专业数据库参考
PubChemId 448537
参考资料
Reaxys RN 2056095
Beilstein 6(3)5619
化合物详情(旧版)

SMILES

CCC(C1=CC=C(O)C=C1)=C(CC)C2=CC=C(O)C=C2

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