BRASSICASTEROL

Molecular Formula: C28H46O


InChI: InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19u,20u,22-,23u,24u,25u,26u,27u,28u/m0/s1

InChIKey: InChIKey=OILXMJHPFNGGTO-CKUUUWFNBC
SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

Names:
    BRASSICASTEROL
    EINECS 207-486-5
    Ergosta-5,22(E)-dien-3beta-ol
    Ergosta-5,22-dien-3-ol, (3beta,22E)-
    (3S)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    474-67-9

Registries:
    PubChem CID 6432458
    PubChem ID 153373