medicagenate

Chemical Formula:

C₃₀H₄₄O₆

Molecular Weight:

500.674 Daltons

Monoisotopic Mass:

502.32943920919996 Daltons

SMILES:

CC4(CCC5(CCC2(C)(C(=CC[CH]1(C3(C)(CC(C(O)C(C)(C(=O)[O-])[CH](CCC(C)12)3)O)))[CH](C4)5))(C(=O)[O-]))(C)

InChI:

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

IDGXIXSKISLYAC-WNTKNEGGSA-L

Synonyms

medicagenic acid
2-beta,3-beta-Dihydroxyolean-12-ene-23,28-dioic acid

Databases

MetaCyc: CPD-9483

PubChem (CID): 25200360 134820255

Seed: cpd25701

HMDB: HMDB34551

MetaNetX: MNXM19259