Seocalcitol

Molecular Formula: C30H46O3


InChI: InChI=1/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13-,24-14+/t21-,25-,26-,27+,28+,29-/m1/s1

InChIKey: InChIKey=LVLLALCJVJNGQQ-QMWUBLQMBX
SMILES: CCC(CC)(C=CC=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O

Names:
    EB 1089
    EB-1089
    Seocalcitol
    (1S,3S,5E)-5-[(2Z)-2-[(1R,3aR,7aR)-1-[(2S,3E,5E)-7-ethyl-7-hydroxy-nona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    1(S),3(R)-Dihydroxy-20(R)-(5'-ethyl-5'-hydroxyhepta-1'(E),3'(E)-dien-1'-yl)-9,10-secopregna-5(Z),7(E),10(19)-triene
    1,3-Cyclohexanediol, 5-((1-(6-ethyl-6-hydroxy-1-methyl-2,4-octadienyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1R-(1alpha(1R*,2E,4E),3abeta,4E(1R*,3S*,5Z),7aalpha))-
    1,3-Cyclohexanediol, 5-((2E)-((1R,3aS,7aR)-1-((1R,2E,4E)-6-ethyl-6-hydroxy-1-methyl-2,4-octadienyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1R,3S,5Z)-
    134404-52-7

Registries:
    PubChem CID 6435810
    PubChem ID 197065