MOLI000102

Molecular Formula: C₂₁H₂₇IO₃

InChI: InChI=1/C21H27IO3/c1-20-12-18(25-2)19-15-6-4-14(23)11-13(15)3-5-16(19)17(20)7-8-21(20,24)9-10-22/h4,6,9-11,16-19,23-24H,3,5,7-8,12H2,1-2H3/b10-9-/t16-,17-,18-,19+,20-,21+/m0/s1/i22-4

InChIKey: InChIKey=OODBRCOEGXETBA-NTZOYWODFG
SMILES: CC12CC(C3C(C1CCC2(C=CI)O)CCC4=C3C=CC(=C4)O)OC

Names:
    MOLI000102
    (8S,9R,11S,13S,14S,17R)-17-[(Z)-2-iodoethenyl]-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Registries:
    PubChem CID 5461892
    PubChem ID 97