Episilvestrol

CAT: 0607-BA3667-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3667-1Size:1 mg

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CAS Number

697235-39-5

Form

A solid

Molecular Formula

C34H38O13

Molecular Weight

654.66

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Episilvestrol

Epi-silvestrol is an organic heterotricyclic compound that is a 5'''-epimer of silvestrol. Isolated from Aglaia silvestris, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a methyl ester, an ether, an organic heterotricyclic compound and a member of dioxanes.

CAS Number	697235-39-5
PubChem CID	11467934
IUPAC Name	methyl (1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1S)-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
Molecular Formula	C34H38O13
Molecular Weight	654.7
XLogP	1.6
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Heavy Atom Count	47
Formal Charge	0
Complexity	1050

SMILES

CO[C@H]1[C@@H](O[C@H](CO1)[C@H](CO)O)OC2=CC3=C(C(=C2)OC)[C@@]4([C@@H]([C@@H]([C@H]([C@@]4(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-/m0/s1

InChIKey

GVKXFVCXBFGBCD-JRPGFILLSA-N

Chemical Structure

2D Structure

CAS: 697235-39-5

CID: 11467934

Formula: C34H38O13

MW: 654.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	654.7
XLogP3	1.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Exact Mass	654.23124126
Monoisotopic Mass	654.23124126
Topological Polar Surface Area	172 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1050
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
333063	Episilvestrol
A15080-1	Episilvestrol 1mg
A15080-0.5	Episilvestrol 0.5mg
A15080-5	Episilvestrol 5mg

Episilvestrol

Chemical Information

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