Soyasapogenol B

C30H50O3CAS 595-15-3458.73 g/mol

Open in Covalent MOL file
HOOHOH
AlcoholAlkene

Properties

Molecular formula
C30H50O3
Molar mass
458.73 g/mol
Exact mass
458.3760 Da
Melting point
259–260 °C
logP
6.11Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1
Stereocentres
R, R, S, R, R, S, S, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
595-15-3
SMILES
CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIKey
YOQAQNKGFOLRGT-UXXABWCISA-N
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

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Names and synonyms

7 names
  • Olean-12-ene-3,22,23-triol, (3β,4β,22β)-
  • Olean-12-ene-3β,22β,24-triol
  • (3β,4β,22β)-Olean-12-ene-3,22,23-triol
  • 3β,22β,24-Trihydroxyolean-12-ene
  • Soyasapogenin B
  • Olean-12-en-3β,22β,24-triol
  • Soyasapogenol I

Work with Soyasapogenol B

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hederagenin465-99-671 % similar (+)-Erythrodiol545-48-266 % similar Beta-amyrin559-70-663 % similar Gymnemagenin22467-07-862 % similar Alpha-Boswellic acid471-66-959 % similar Soyasaponin ba114590-20-457 % similar Oleanolic acid508-02-156 % similar Methyl oleanolate1724-17-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cholesterol ethyl carbonate23836-43-3

Elsewhere

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