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(8S,9S,11R,13S,14S,17R)-17-[(E)-2-chloranylethenyl]-11-ethenyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

View entire compound with spectra: 1 MS (GC)

(8S,9S,11R,13S,14S,17R)-17-[(E)-2-chloranylethenyl]-11-ethenyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID E0lJJCvgDx8
InChI InChI=1S/C22H27ClO2/c1-3-14-13-21(2)19(8-9-22(21,25)10-11-23)18-6-4-15-12-16(24)5-7-17(15)20(14)18/h3,5,7,10-12,14,18-20,24-25H,1,4,6,8-9,13H2,2H3/b11-10+/t14-,18-,19-,20+,21-,22+/m0/s1
InChIKey SSQWPMLTYOGGLM-XUOOYTPCSA-N
Mol Weight 358.91 g/mol
Molecular Formula C22H27ClO2
Exact Mass 358.169958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3HYWVe0buA
Name (8S,9S,11R,13S,14S,17R)-17-[(E)-2-chloranylethenyl]-11-ethenyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27ClO2
InChI InChI=1S/C22H27ClO2/c1-3-14-13-21(2)19(8-9-22(21,25)10-11-23)18-6-4-15-12-16(24)5-7-17(15)20(14)18/h3,5,7,10-12,14,18-20,24-25H,1,4,6,8-9,13H2,2H3/b11-10+/t14-,18-,19-,20+,21-,22+/m0/s1
InChIKey SSQWPMLTYOGGLM-XUOOYTPCSA-N
Molecular Weight 358.909 g/mol
SMILES Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@@](CC4)(\C=C\Cl)O)(C[C@@]([C@]23[H])(C=C)[H])C)[H])[H])c1
SPLASH splash10-0006-0009000000-8aafda0808ea6521a5e1
Source of Spectrum F2-41-4691-4
Synonyms (8S,9S,11R,13S,14S,17R)-17-[(E)-2-chloroethenyl]-11-ethenyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (8S,9S,11R,13S,14S,17R)-17-[(E)-2-chlorovinyl]-13-methyl-11-vinyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1599897