LUPEOL BENZOATE

Molecular Formula: C37H54O2


InChI: InChI=1/C37H54O2/c1-24(2)26-16-19-34(5)22-23-36(7)27(31(26)34)14-15-29-35(6)20-18-30(39-32(38)25-12-10-9-11-13-25)33(3,4)28(35)17-21-37(29,36)8/h9-13,26-31H,1,14-23H2,2-8H3/t26-,27+,28-,29+,30-,31+,34+,35-,36+,37+/m0/s1

InChIKey: InChIKey=GGGPJWXHMZSCEW-WEZIXBNWBV
SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6)C)C

Names:
    LUPEOL BENZOATE
    Lupeol, benzoate
    Lup-20 (29)-en-3-ol, benzoate, (3.beta.)-
    Lup-20 (29)-en-3.beta.-ol, benzoate
    NSC1151
    1617-69-2

Registries:
    PubChem CID 219629
    PubChem ID 68001