Soyasapogenol B

CAT: 0013-GTR19155386-08Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19155386-08Size:100 mg

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Description

Soyasapogenol B has anti-cancer, hypocholesterolemic, anticomplementary, hepatoprotective effects, it inhibits proliferation of cultured Hep-G2.

CAS Number

595-15-3

Purity

>98% (HPLC)

Solubility

DMSO:10 mM

Smiles

C[C@]12[C@]3 (C ([C@@]4 ([H]) [C@] (C) ([C@@H] (CC (C) (C) C4) O) CC3) =CC[C@]1 ([H]) [C@@]5 ([C@@] ([C@] (C) ([C@@H] (O) CC5) CO) ([H]) CC2) C) C

Molecular Formula

C30H50O3

Molecular Weight

458.7

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

Soyasapogenol B

Soyasapogenol B is a pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13 and substituted by hydroxy groups at the 3beta, 22beta and 24-positions. It derives from a hydride of an oleanane.

CAS Number	595-15-3
PubChem CID	115012
IUPAC Name	(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
Molecular Formula	C30H50O3
Molecular Weight	458.7
XLogP	7
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	33
Formal Charge	0
Complexity	847

SMILES

C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)C)C)(C)CO)O

InChI

InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1

InChIKey

YOQAQNKGFOLRGT-UXXABWCISA-N

Chemical Structure

2D Structure

CAS: 595-15-3

CID: 115012

Formula: C30H50O3

MW: 458.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	458.7
XLogP3	7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	458.37599545
Monoisotopic Mass	458.37599545
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	847
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TBZ2362	Soyasapogenol A
HY-N6073R	Soyasapogenol A (Standard)
AAA59514-01	Soyasapogenol C
FS42669-01	Soyasapogenol B
M31843-01	Soyasapogenol D

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