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:
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