soyasapogenol B

Chemical Formula:

C₃₀H₅₀O₃

Molecular Weight:

458.723 Daltons

Monoisotopic Mass:

458.3759954713 Daltons

SMILES:

CC3(CC4(C2(=CCC5(C1(CCC(C(CO)(C)C1CCC(C2(CCC(C(C3)O)4C)C)5C)O)C))))C

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-FNBSVUNXSA-N

Synonyms

24-hydroxysophoradiol
(3β,22β)-olean-12-ene-3,22,24-triol

Databases

MetaCyc: CPD-7610

HMDB: HMDB34648

ChEBI: 9209

PubChem (CID): 13632844

KEGG: C08980

MetaNetX: MNXM1856