oleanolate 3 β-D-glucuronoside

Chemical Formula:

C₃₆H₅₄O₉

Molecular Weight:

630.817 Daltons

Monoisotopic Mass:

632.3924333965 Daltons

SMILES:

CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)OC6(C(C(C([CH](C([O-])=O)O6)O)O)O))C))))C

InChI:

1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/p-2/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1

InChIKey:

IUCHKMAZAWJNBJ-RCYXVVTDSA-L

Synonyms

oleanolic acid 3 β-D-glucuronoside
oleanoic acid 3-O-glucuronide
monoglucuronide F
oleanolic acid 3-O-glucuronide
oleanolic acid 3-O-monoglucuronide

Databases

MetaCyc: CPD-9460

ChEBI: 37658

PubChem (CID): 90659092

HMDB: HMDB40851

KEGG: C08964

Seed: cpd05860

MetaNetX: MNXM8959