Methyl (1R,2R,3S,3aR,8bS)-6-({(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl}oxy)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d] furan-2-carboxylate（CAS号：697235-38-4）

silvestrol

基本信息

Methyl (1R,2R,3S,3aR,8bS)-6-({(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl}oxy)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]
furan-2-carboxylate

CAS号

697235-38-4

分子式

C34H38O13

分子量

654.66 g/mol

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基本物理性质

熔点

120-122℃

沸点

800.8±65.0°C at 760 mmHg

密度

1.45

SMILES

COC1C(OC(CO1)C(CO)O)OC2=CC3=C(C(=C2)OC)C4(C(C(C(C4(O3)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C(=O)OC)O)O

InChI

InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25-,26-,27-,29-,31-,32-,33+,34+/m1/s1

InChIKey

GVKXFVCXBFGBCD-QKDMMWSPSA-N

LogP

1.5728

拓扑极性表面积

171.82999999999998 Å²

氢键供体/受体

4 / 13

复杂度

1050

分类与用途

化学分类

医药产品原料药与中间体中间体

安全信息

查看安全信息

危险说明

H302-H315-H319-H335

同义词与参考文献

英文

CHEMBL555196
UNII-KK3Y3KN5BV
(-)-silvestrol
BDBM50335583
NSC-783538
Silvestrol [WHO-DD]
AKOS027326751
697235-38-4
Q27135085
HY-13251
NSC783538
MS-30982
1H-Cyclopenta(b)benzofuran-2-carboxylic acid, 6-(((2S,3R,6R)-6-((1R)-1,2-dihydroxyethyl)-3-methoxy-1,4-dioxan-2-yl)oxy)-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-, methyl ester, (1R,2R,3S,3aR,8bS)-
methyl (1R,2R,3S,3aR,8bS)-6-({(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl}oxy)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxylate
CHEBI:66484
silvestrol
DTXSID601028120
CS-0543
NCGC00379005-02
SCHEMBL732092
MFCD22417097
methyl (1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
KK3Y3KN5BV
1H-Cyclopenta[b]benzofuran-2-carboxylic acid, 6-[[(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]o xy]-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-8-methoxy-3a-(4-methoxypheny l)-3-phenyl-, methyl ester, (1R,2R,3S,3aR,8bS)-
Silvestrol
(-)-Silvestrol
1H-Cyclopenta[b]benzofuran-2-carboxylic acid, 6-[[(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-met...
1H-Cyclopenta[b]benzofuran-2-carboxylic acid, 6-[[(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]o xy]-2,3,
1H-Cyclopenta[b]benzofuran-2-carboxylic acid, 6-[[(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]o xy]-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-8-methoxy-3a-(4-methoxypheny l)-3-phenyl-,
methyl (1R,2R,3S,3aR,8bS)-6-[[(3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate

中文

(1R,2R,3S,3AR,8BS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-二羟基乙基]-3-甲氧基-1,4-二氧己环-2-基]氧基]-2,3,3A,8B-四氢-1,8B-二羟基-8-甲氧基-3A-(4-甲氧基苯基)-3-苯基-1H-环戊烯并[B]苯并呋喃-2-羧酸甲酯
(1R,2R,3S,3AR,8BS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-二羟基乙基]-3-甲氧基-1,4-二氧己环-2-基]氧基]-2,3,3A,8B-四氢-1,8B-二羟基-8-甲氧基-3A-(4-甲氧基苯基)-3-苯基-1H-环戊烯并[B]苯并呋喃-2-羧酸甲酯)

MDL_Number

MFCD22417097

CAS号

697235-38-4

供应商信息

供应商名称	会员等级	认证状态	主要类别	最小订购量	操作
中国 - 上海陌孚医药科技有限公司
中国 - 金锦乐（湖南）化学有限公司
中国 - 湖北诺纳科技有限公司
中国 - 上海源叶生物科技有限公司
德国 - 克莱恩纺织品
德国 - 德国宾馆有限公司
德国 - ENGEMANN有限公司 Spedition GmbH und Co. KG
德国 - 安格斯化学有限公司