gypsogenate
Chemical Formula:
C30H44O5
Molecular Weight:
484.675 Daltons
Monoisotopic Mass:
486.33452458709996 Daltons
SMILES:
CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C(=O)[O-])O)C))C))C4C5)C)C(=O)[O-])C
InChI:
1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/p-2/t19?,20?,21?,22-,26+,27+,28+,29-,30-/m0/s1
InChIKey:
Synonyms
- gypsogenic acid
Databases
MetaCyc:
CPD-9474
PubChem (CID):
25200390
Seed:
cpd25696
ChEBI:
71531
MetaNetX:
MNXM105490