oleanolate 3-O-β-D-glucoside

Chemical Formula:

C₃₆H₅₇O₈

Molecular Weight:

617.841 Daltons

Monoisotopic Mass:

618.4131688386 Daltons

SMILES:

CC5(C)(CCC6(C(=O)[O-])(CCC1(C)(C(=CC[CH]2(C3(C)(CCC(C(C)(C)[CH](CCC(C)12)3)OC4(C(C(O)C(C(CO)O4)O)O))))[CH](C5)6)))

InChI:

1S/C36H58O8/c1-31(2)14-16-36(30(41)42)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(32(3,4)23(33)10-13-35(24,34)7)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,21-29,37-40H,9-19H2,1-7H3,(H,41,42)/p-1/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1

InChIKey:

ZNFRITHWVZXJRK-YHFBEQRYSA-M

Databases

MetaCyc: CPD-21330

ChEBI: 142488

PubChem (CID): 134819986