名称和标识符别名信息物化性质国际标准相关数据相关文献专业数据库参考

右旋酮洛芬氨丁三醇 | 518-29-6

中文名称：右旋酮洛芬氨丁三醇

英文名称： β-Peltatin

CAS No.： 518-29-6

分子式： C₂₂H₂₂O₈

分子量： 414.4053

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：右旋酮洛芬氨丁三醇结构式

MSDS：右旋酮洛芬氨丁三醇MSDS

PubChem CID： 92122

价格行情：右旋酮洛芬氨丁三醇价格

快速询单国内供应商

右旋酮洛芬氨丁三醇的其他展现形式

相关化合物

去氧鬼臼毒素

Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)- (9CI)

CAS No.：69222-20-4
α-盾叶鬼臼素

Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-,(5R,5aR,8aR)-

CAS No.：568-53-6
Peltatin, β, α Methyl Ether

CAS No.：38943-35-0
10-ethoxy-5-(4-ethoxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one

CAS No.：6270-40-2
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-5-(7-methoxy-1,3-benzodioxol-5-yl)-, (5R,5aS,8aR)-

CAS No.：55890-20-5
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5a,5aa,8ab)]- (9CI)

CAS No.：17187-81-4

名称和标识符

InChIKey	HLBPOYVRLSXWJJ-PDSMFRHLSA-N
Inchi	1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1
SMILES	O1C([C@]2([H])[C@]([H])(C3C([H])=C(C(=C(C=3[H])OC([H])([H])[H])OC([H])([H])[H])OC([H])([H])[H])C3=C([H])C4=C(C(=C3C([H])([H])[C@@]2([H])C1([H])[H])O[H])OC([H])([H])O4)=O
BRN	0099483

别名信息

- 中文别名 -

右旋酮洛芬氨丁三醇

- 英文别名 -

(-)-β-Peltatin
(5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
PELTATIN
β-Peltatin
Beta-Peltatin

PELTATIN B
Peltatin methyl ether
beta-Peltatin A
PELTATIN, BETA
(-)-beta-peltatin
NSC24819
3U9W61G72Y
NSC35471
.alpha.-Peltalin A
.beta.-Peltatin
.beta.-Peltatin A
alpha-Peltalin A
MLS002702982
beta-peltatin-a
Peltatin, beta-
Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydr
BSPBio_002772
DTXSID10199732
FS-7914
(5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
CHEBI:74867
.BETA.-PELTATIN, (-)-
518-29-6
(5R,5aR,8aR)-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
Spectrum5_001882
(5R,5AR,8AR)-5,8,8A,9-TETRAHYDRO-10-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)FURO(3,4:6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE
Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, .gamma.-lactone
KBioGR_002270
Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-
SCHEMBL516627
KBio2_002260
Spectrum4_001925
(-)-
.beta.-Peltatin-B
SPECTRUM1504739
NS00094625
BRN 0099483
AI3-50532
5-19-10-00670 (Beilstein Handbook Reference)
KBio2_004828
NCGC00161926-02
SDCCGMLS-0066768.P001
KBio3_001992
CS-0089444
(-)-.BETA.-PELTATIN
KBioSS_002261
Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha))-
.BETA.-PELTATIN [MI]
AKOS040762170
NSC 24819
NCI60_001982
BRD-K13265046-001-02-1
FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-10-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-, (5R,5AR,8AR)-
NSC-24819
HY-125135
A-Peltatin
beta-Peltatin
Q27144976
NSC-35471
Spectrum_001780
UNII-3U9W61G72Y
CHEMBL97543
XP178053
NCGC00161926-01
KBio2_007396
Spectrum3_001096
(-)-beta-Peltatin
(-)-beta-Peltatin
MLSMR
MLSMR
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-
Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, .gamma.-lactone
Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, .gamma.-lactone
SMR001566792
SMR001566792

物化性质

实验特性

LogP	2.62390
PSA	92.68000
熔点	234.0 °C
溶解度	3.14e-05 M
颜色与性状	Powder
比旋光度	D20 -122.9° (c = 0.578 in chloroform)

计算特性

精确分子量	414.13100
氢键供体数量	1
氢键受体数量	8
可旋转化学键数量	4
同位素质量	414.13146766 g/mol
重原子数量	30
复杂度	629
同位素原子数量	0
确定原子立构中心数量	3
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	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	2.9
拓扑分子极性表面积	92.7
分子量	414.4

国际标准相关数据

EINECS	24819

相关文献

1. A novel strategy for screening new natural products by a combination of reversed-phase liquid chromatography fractionation and 13C NMR pattern recognition: the discovery of new anti-cancer flavone dimers from Dysosma versipellis (Hance)
Zhi Yang,Youqian Wu,Hui Zhou,Xiaoji Cao,Xinhang Jiang,Kuiwu Wang,Shihua Wu RSC Adv. 2015 5 77553
2. Lignans, neolignans and related compounds
Robert S. Ward Nat. Prod. Rep. 1997 14 43
3. Aryldihydronaphthalene-type lignans from Bursera fagaroides var. fagaroides and their antimitotic mechanism of action
Mayra Antúnez Mojica,Alejandra León,Andrés M. Rojas-Sepúlveda,Silvia Marquina,Mario A. Mendieta-Serrano,Enrique Salas-Vidal,María Luisa Villarreal,Laura Alvarez RSC Adv. 2016 6 4950
4. Biosynthesis, total synthesis, and pharmacological activities of aryltetralin-type lignan podophyllotoxin and its derivatives
Siyu Shen,Yuru Tong,Yunfeng Luo,Luqi Huang,Wei Gao Nat. Prod. Rep. 2022 39 1856
5. Lignans and related phenols. Part XIV. Selective oxidation of aryltetrahydronaphthalenes
David C. Ayres,John A. Harris J. Chem. Soc. Perkin Trans. 1 1973 2059
6. Lignans and related phenols. Part XV. Remote substituent effects on the rates and products of some reactions of aryltetrahydronaphthalenes
David C. Ayres,Chang Kee Lim J. Chem. Soc. Perkin Trans. 1 1976 832
7. A practical synthesis of the anti-tumour agent 2-methyl-4-deoxyisopicropodophyllotoxin and related podophyllin analogues
Andrew R. Beard,Sarah J. Hazell,John Mann,Christopher Palmer J. Chem. Soc. Perkin Trans. 1 1993 1235
8. Lignans and related phenols. Part 18. The synthesis of quinones from podophyllotoxin and its analogues
David C. Ayres,Timothy J. Ritchie J. Chem. Soc. Perkin Trans. 1 1988 2573
9. The biosynthesis of shikimate metabolites
P. M. Dewick Nat. Prod. Rep. 1988 5 73
10. Lignans neolignans, and related compounds
R. S. Ward Nat. Prod. Rep. 1993 10 1

专业数据库参考

PubChemId	92122

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