oleanolate 3-beta-D-glucuronoside-(3,1)-galactoside

Chemical Formula:

C₄₂H₆₄O₁₄

Molecular Weight:

792.959 Daltons

Monoisotopic Mass:

794.445256828 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)OC7(C(C(C(C(O7)CO)O)O)O))O))C))))C

InChI:

1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/p-2/t21-,22+,23-,24+,25-,26-,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1

InChIKey:

BQPYEFAVIPEQIK-AGCVEWRESA-L

Databases

MetaCyc: CPD-9461

HMDB: HMDB34533

PubChem (CID): 25245441 134820144

KEGG: C08984

Seed: cpd25690

MetaNetX: MNXM8960

ChEBI: 9228