gypsogenin

Chemical Formula:

C₃₀H₄₅O₄

Molecular Weight:

469.683 Daltons

Monoisotopic Mass:

470.33960996499997 Daltons

SMILES:

CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C=O)O)C))C))C4C5)C)C(=O)[O-])C

InChI:

1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/p-1/t20?,21?,22?,23-,26-,27-,28+,29+,30-/m0/s1

InChIKey:

QMHCWDVPABYZMC-NJMHOMCLSA-M

Synonyms

3beta-hydroxy-23-oxoolean-12-en-28-oic acid
albasapogenin
githagenin
astrantiagenin D
Gypsophilasapogenin

Databases

MetaCyc: CPD-9470

LIPID MAPS: LMPR0106150010

PubChem (CID): 25202552

KEGG: C08950

ChEBI: 5580

Seed: cpd05846

MetaNetX: MNXM55804