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(8R,9S,13S,14S,17S)-17-(5-chloranylpent-1-ynyl)-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)

(8R,9S,13S,14S,17S)-17-(5-chloranylpent-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 7XRyurEVUhd
InChI InChI=1S/C23H29ClO2/c1-22-12-9-19-18-8-6-17(25)15-16(18)5-7-20(19)21(22)10-13-23(22,26)11-3-2-4-14-24/h6,8,15,19-21,25-26H,2,4-5,7,9-10,12-14H2,1H3/t19-,20-,21+,22+,23+/m1/s1
InChIKey FWEPFTONACOHPY-VROINQGHSA-N
Mol Weight 372.94 g/mol
Molecular Formula C23H29ClO2
Exact Mass 372.185608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmIpW1oXOsv
Name (8R,9S,13S,14S,17S)-17-(5-chloranylpent-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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Formula C23H29ClO2
InChI InChI=1S/C23H29ClO2/c1-22-12-9-19-18-8-6-17(25)15-16(18)5-7-20(19)21(22)10-13-23(22,26)11-3-2-4-14-24/h6,8,15,19-21,25-26H,2,4-5,7,9-10,12-14H2,1H3/t19-,20-,21+,22+,23+/m1/s1
InChIKey FWEPFTONACOHPY-VROINQGHSA-N
Molecular Weight 372.936 g/mol
SMILES Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@@](CC4)(C#CCCCCl)O)(CC[C@]23[H])C)[H])[H])c1
SPLASH splash10-03l0-1954000000-9221d7960ad313e2d185
Source of Spectrum SK-24-740-0
Synonyms (8R,9S,13S,14S,17S)-17-(5-chloropent-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 866185