calcipotriene

Molecular Formula: C27H40O3


InChI: InChI=1/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23u,24u,25+,26+,27u/m1/s1

InChIKey: InChIKey=LWQQLNNNIPYSNX-DWZHOBLKBR
SMILES: CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C

Names:
    calcipotriene
    (1S,3S,5Z)-5-[(2E)-2-[1-[(E,2S,5R)-5-cyclopropyl-5-hydroxy-pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    112828-00-9

Registries:
    PubChem CID 6435783
    PubChem ID 196852