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Soyasapogenol D

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Description
Soyasapogenol D is a natural product.
CAS Number
65892-76-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
472.8
Molecular Formula
C31H52O3
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Soyasapogenol D

Soyasapogenol D is a triterpenoid.

CAS Number65892-76-4
PubChem CID46173903
IUPAC Name(3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
Molecular FormulaC31H52O3
Molecular Weight472.7
XLogP7.2
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity876
SMILES
C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CCC4=C5CC(C[C@H]([C@@]5(CC[C@]43C)C)OC)(C)C)C)(C)CO)O
InChI
InChI=1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h22-25,32-33H,9-19H2,1-8H3/t22-,23-,24+,25-,27-,28+,29-,30-,31-/m1/s1
InChIKey
JAQZKPHHLRTVCY-ZHRKTGFNSA-N
Chemical Structure
2D Structure
2D structure of Soyasapogenol D
CAS: 65892-76-4
CID: 46173903
Formula: C31H52O3
MW: 472.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight472.7
XLogP37.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass472.39164552
Monoisotopic Mass472.39164552
Topological Polar Surface Area49.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity876
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes