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 No. 697235-38-4

Basic Information

CAS Number

697235-38-4

Molecular Formula

C34H38O13

Molecular Weight

654.66 g/mol

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Basic Physical Properties

Melting Point

120-122℃

Boiling Point

800.8±65.0°C at 760 mmHg

Density

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

Topological Polar Surface Area

171.82999999999998 Å²

Hydrogen Bond Donor/Acceptor

4 / 13

Complexity

1050

Classification & Uses

Chemical Classification

Pharmaceutical Products APIs & Intermediates Intermediates

Safety Information

View Safety Information

Hazard Statement

H302-H315-H319-H335

Synonyms & References

English

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

MDL_Number

MFCD22417097

CAS Number

697235-38-4

Supplier Information

Supplier Name	Member Level	Authentication Status	Main Category	MOQ	Action
China - Shanghai Mofu Medicine Technology Co., Ltd.
China - Jin Jinle (Hunan) Chemical Co., Ltd.
China - Hubei Nona Technology Co., Ltd.
China - Shanghai Yuyeh Biotechnology Co., Ltd.
Germany - DaXem GmbH
China - Jiangmen Hengyi Real Industry Co., Ltd.
China - Beijing Jinyuan Chemical Group Co., Ltd.
Germany - Heimbach Filtration GmbH