16-alpha-hydroxygypsogenate

Chemical Formula:

C₃₀H₄₄O₆

Molecular Weight:

500.674 Daltons

Monoisotopic Mass:

502.32943920919996 Daltons

SMILES:

CC5(CCC4(C(CC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C(=O)[O-])O)C))C))C4C5)C)O)C(=O)[O-])C

InChI:

1S/C30H46O6/c1-25(2)13-14-30(24(35)36)18(15-25)17-7-8-19-26(3)11-10-21(31)29(6,23(33)34)20(26)9-12-27(19,4)28(17,5)16-22(30)32/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/p-2/t18?,19?,20?,21-,22?,26+,27+,28+,29-,30+/m0/s1

InChIKey:

NZUXOCGZXRCSGC-JPROVCBJSA-L

Synonyms

16-alpha-hydroxygypsogenic acid

Databases

MetaCyc: CPD-9476

PubChem (CID): 25202058

Seed: cpd25698

ChEBI: 71529

MetaNetX: MNXM101474