(3R,3aR,6R,7aR,8R)-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-4-((2R,3R)-3,5,7-trihydroxy-4-oxochroman-2-yl)-2,3,3a,7a-tetrahydro-3,6-methanobenzofuran-7(6H)-one（CAS号：29782-68-1）

水飞蓟宁

基本信息

在编辑器中查看

CAS号

29782-68-1

分子式

C25H22O10

分子量

482.44 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酮类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

物理状态

Powder

熔点

191℃

沸点

819.028 °C at 760 mmHg

密度

1.6760

闪点

819.028 °C at 760 mmHg

溶解度

Methanol

折射率

1.747

SMILES

在编辑器中查看

COC1=C(C=CC(=C1)C2C3COC4(C3C(=CC2C4=O)C5C(C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O

InChI

InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13-,18+,20+,22+,23-,25-/m1/s1

InChIKey

CYGIJEJDYJOUAN-JSGXPVSSSA-N

LogP

0.9904999999999997

拓扑极性表面积

162.98 Å²

氢键供体/受体

5 / 10

复杂度

935

安全信息

查看安全信息

GHS危险象形图

H302

危险说明

H302 吞咽有害
急性毒性-经口

储存条件

-20℃

同义词与引用数据

英文

Silydianin, analytical standard
EINECS 249-848-5
SILIDIANIN [MART.]
(3R,3aR,6R,7aR,8R)-7a-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-4-((2R,3R)-3,5,7-trihydroxy-4-oxochroman-2-yl)-3,3a,6,7a-tetrahydro-3,6-methanobenzofuran-7(2H)-one
Silidianinum [INN-Latin]
Silidianin
BRD-K52002287-001-01-0
29782-68-1
Silidianine
Silidianina [INN-Spanish]
7P89L7W179
CS-0009672
CHEMBL2397733
SILIDIANIN (CONSTITUENT OF MILK THISTLE) [DSC]
Q27268678
(1S,3S,6R,7S,10R)-3-Hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
DTXSID70858696
SILYDIANIN [USP-RS]
Silidianin [INN]
(+)-2,3alpha,3aalpha,7a-Tetrahydro-7aalpha-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-4-(3alpha,5,7-trihydroxy-4-oxo-2beta-chromanyl)-3,6-methanobenzofuran-7(6alphaH)-one
AS-56229
HY-N0646
(1R,3R,6R,7R,10R)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
Silydianin, United States Pharmacopeia (USP) Reference Standard
AKOS030573534
(+)-2,3.ALPHA.,3A.ALPHA.A,7A-TETRAHYDRO-7A.ALPHA.-HYDROXY-8-(4-HYDROXY-3-METHOXYPHENYL)-4-(3.ALPHA.,5,7-TRIHYDROXY-4-OXO-2.BETA.-CHROMANYL)-3,6-METHANOBENZOFURAN-7(6.ALPHA.H)-ONE
Silydianin
UNII-7P89L7W179
AC-34761
Silidianine [INN-French]
3,6-Methanobenzofuran-7(6H)-one,4-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-,(3R,3aR,6R,7aR,8R)-