名称和标识符别名信息物化性质安全信息海关数据相关文献专业数据库参考参考资料化合物详情（旧版）相关分类相关产品

反式-异扁柏脂素 | 17676-24-3

中文名称：反式-异扁柏脂素

英文名称： Phenol,4,4'-[(1E,3S)-3-ethenyl-1-propene-1,3-diyl]bis-

CAS No.： 17676-24-3

分子式： C₁₇H₁₆O₂

分子量： 252.30774

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：反式-异扁柏脂素结构式

MSDS：反式-异扁柏脂素MSDS

PubChem CID： 12310493

价格行情：反式-异扁柏脂素价格

快速询单国内供应商

反式-异扁柏脂素的其他展现形式

相关化合物

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名称和标识符

InChIKey	VEAUNWQYYMXIRB-ZZXKWVIFSA-N
Inchi	InChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3+
SMILES	C(C(C1C=CC(O)=CC=1)/C=C/C1C=CC(O)=CC=1)=C

别名信息

- 中文别名 -

反式-异扁柏脂素
反式扁柏树脂酚

- 英文别名 -

Phenol,4,4'-[(1E,3S)-3-ethenyl-1-propene-1,3-diyl]bis-
trans-Hinokiresinol
[ "" ]
C10628
hinokiresinol

trans-Hikiresil
cis-Hinokiresinol
4-[1-[(E)-4-Hydroxystyryl]allyl]phenol
4,4'-[(E)-3-Vinyl-1-propene-1,3-diyl]bis[phenol]
4-[(3S)-1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]phenol
Nyasol
AKOS040762442
4-[(1E,3S)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
4-[(1E,3S)-1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]phenol
(7S)-trans-hinokiresinol
Epitope ID:116870
(7S)-(E)-hinokiresinol
HY-N1134
(-)-hinokiresinol
CHEMBL371547
Q27105158
Hinokiresinol
-(p-Hydroxystyryl)chavicol
(S,E)-4,4'-(Penta-1,4-diene-1,3-diyl)diphenol
CHEBI:435764
CS-0016423
DTXSID701317776
Phenol, 4,4'-[(1E,3S)-3-ethenyl-1-propene-1,3-diyl]bis-
17676-24-3
FS-10491
Phenol, 4,4'-(3-ethenyl-1-propene-1,3-diyl)bis-, (E)-
Phenol, 4,4'-(3-ethenyl-1-propene-1,3-diyl)bis-, (E)-
SCHEMBL776219
SCHEMBL776219
4-[(1E)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
4-[(1E)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
an trans-hinokiresinol
an trans-hinokiresinol
rac-hinokiresinol
rac-hinokiresinol
(+/-)-Hinokiresinol
(+/-)-Hinokiresinol
VEAUNWQYYMXIRB-ZZXKWVIFSA-N
VEAUNWQYYMXIRB-ZZXKWVIFSA-N
AKOS032948662
AKOS032948662
Phenol, 4,4'-(3-vinylpropenylene)di-, (E)-
Phenol, 4,4'-(3-vinylpropenylene)di-, (E)-
4,4'-(1E)-penta-1,4-diene-1,3-diyldiphenol
4,4'-(1E)-penta-1,4-diene-1,3-diyldiphenol
4-[(3S)-1-(4-HYDROXYPHENYL)PENTA-1,4-DIEN-3-YL]PHENOL
4-[(3S)-1-(4-HYDROXYPHENYL)PENTA-1,4-DIEN-3-YL]PHENOL
(E)-hinokiresinol
(E)-hinokiresinol
Hinokiresinol
Hinokiresinol
CHEMBL198245
CHEMBL198245

物化性质

实验特性

LogP	4.08080
PSA	40.46000
沸点	429.4±40.0 °C at 760 mmHg
蒸气压	0.0±1.1 mmHg at 25°C
闪点	203.8±21.9 °C
颜色与性状	Solid
密度	1.2±0.1 g/cm3

计算特性

精确分子量	252.11500
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	252.115029749g/mol
重原子数量	19
复杂度	294
同位素原子数量	0
确定原子立构中心数量	1
不确定原子立构中心数量	0
确定化学键立构中心数量	1
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	4.4
拓扑分子极性表面积	40.5Å²

安全信息

安全说明	H303+H313+H333
危害声明	H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
警示性声明	P264+P280+P305+P351+P338+P337+P313
储存条件	4℃条件下存储，-4℃条件下存储更佳

海关数据

海关编码	2907299090
海关数据	中国海关编码： 2907299090 概述： 2907299090 其他多元酚，酚醇。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0% 申报要素：品名, 成分含量, 用途监管条件： A.入境货物通关单 B.出境货物通关单检验检疫类别： R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验 Summary： 2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

海关编码

2907299090

海关数据

中国海关编码：

2907299090

概述：

2907299090 其他多元酚，酚醇。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%

申报要素：

品名, 成分含量, 用途

监管条件：

A.入境货物通关单
B.出境货物通关单

检验检疫类别：

R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary：

2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

相关文献

1. Norlignan biosynthesis in Asparagus officinalis L.: the norlignan originates from two non-identical phenylpropane units
Shiro Suzuki,Toshiaki Umezawa,Mikio Shimada J. Chem. Soc. Perkin Trans. 1 2001 3252
2. A heartwood norlignan, (E)-hinokiresinol, is formed from 4-coumaryl 4-coumarate by a Cryptomeria japonica enzyme preparation
Shiro Suzuki,Masaomi Yamamura,Mikio Shimada,Toshiaki Umezawa Chem. Commun. 2004 2838
3. First in vitro norlignan formation with Asparagus officinalis enzyme preparation
Shiro Suzuki,Tomoyuki Nakatsubo,Toshiaki Umezawa,Mikio Shimada Chem. Commun. 2002 1088
4. Subunit composition of hinokiresinol synthase controls enantiomeric selectivity in hinokiresinol formation
Masaomi Yamamura,Shiro Suzuki,Takefumi Hattori,Toshiaki Umezawa Org. Biomol. Chem. 2010 8 1106
5. Stereoselective total syntheses of the (±)-di-O-methyl ethers of agatharesinol, sesquirin-A, and hinokiresinol, and of (±)-tri-O-methylsequirin-E, characteristic norlignans of coniferae
Angel Paez Beracierta,Donald A. Whiting J. Chem. Soc. Perkin Trans. 1 1978 1257
6. Dissection of lignin macromolecular configuration and assembly: Comparison to related biochemical processes in allyl/propenyl phenol and lignan biosynthesis
Laurence B. Davin,Micha?l Jourdes,Ann M. Patten,Kye-Won Kim,Daniel G. Vass?o,Norman G. Lewis Nat. Prod. Rep. 2008 25 1015
7. Medicinal plants of southern Africa. Part 2. Synthesis of 1,3-bis-(4-methoxyphenyl)penta-1,4-diene, a stereoisomer of dimethylhinokiresinol, and its 4-monomethoxy analogue
Farouk Ameer,Siegfried E. Drewes,Mark W. Drewes,Gregory H. P. Roos,Martin C. Watson J. Chem. Soc. Perkin Trans. 1 1988 1425
8. Athrotaxin, a C17-phenolic constituent from Athrotaxis selaginoides Don.
P. Daniels,H. Erdtman,K. Nishimura,T. Norin,P. Kierkegaard,A.-M. Pilotti J. Chem. Soc. Chem. Commun. 1972 246
9. Enantioselective total synthesis of the di-O-methyl ethers of (–)-agatharesinol, (+)-hinokiresinol and (–)-sugiresinol, characteristic norlignans of Coniferae
Osamu Muraoka,Bao-Zhong Zheng,Noriyuki Fujiwara,Genzoh Tanabe J. Chem. Soc. Perkin Trans. 1 1996 405
10. The chemistry and biological activity of the Hyacinthaceae
Dulcie A. Mulholland,Sianne L. Schwikkard,Neil R. Crouch Nat. Prod. Rep. 2013 30 1165

专业数据库参考

PubChemId	12310493

参考资料

Reaxys RN

化合物详情（旧版）

SMILES

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