oleanolate 3-beta-D-glucuronoside-(3,1)-galactoside-28-glucoside

Chemical Formula:

C₄₈H₇₅O₁₉

Molecular Weight:

956.109 Daltons

Monoisotopic Mass:

956.4980802595001 Daltons

SMILES:

CC3(C[CH]4(C2(=CC[CH]6(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C(OC5(C(C(C(C(CO)O5)O)O)O))=O)C)6C)(C)C)OC7(C(C(C([CH](C([O-])=O)O7)O)OC8(C(C(C(C(CO)O8)O)O)O))O))C))))C

InChI:

1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-33(56)31(54)29(52)24(20-50)63-40)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)64-41-35(58)36(34(57)37(66-41)38(59)60)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/p-1/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:

QZMAEZWZCGBZFK-AOJWCAIYSA-M

Databases

MetaCyc: CPD-9464

PubChem (CID): 25244610 134820360

Seed: cpd25692

MetaNetX: MNXM8961