oleanolate-3-beta-D-glucuronoside-(3,1)-galactoside-(4,1)-glucoside

Chemical Formula:

C₄₈H₇₄O₁₉

Molecular Weight:

955.101 Daltons

Monoisotopic Mass:

956.4980802595001 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)OC7(C(C(C(C(CO)O7)O)O)O))OC8(C(C(C(C(CO)O8)O)O)O))O))C))))C

InChI:

1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-34(57)35(65-39-32(55)30(53)28(51)23(19-49)62-39)36(37(67-41)38(58)59)66-40-33(56)31(54)29(52)24(20-50)63-40/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/p-2/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31-,32+,33+,34+,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1

InChIKey:

IKLJZXPOWHPNML-WCRAFUTRSA-L

Databases

MetaCyc: CPD-9469

PubChem (CID): 25245996 134820212

Seed: cpd25694

MetaNetX: MNXM12516