Momordin Ib

Molecular Formula: C36H56O9


InChI: InChI=1/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)/t20-,21u,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1/f/h40,42H

InChIKey: InChIKey=IUCHKMAZAWJNBJ-CQOGYGAEDI
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)O)C

Names:
    Momordin Ib
    Oleanolic acid 3-O-glucuronide
    (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,12aR,14aR,14bS)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid

Registries:
    PubChem CID 6918444
    PubChem ID 12015258