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(3S,8R,9S,10R,13S,14S,17S)-17-(5-chloranylpent-1-ynyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

View entire compound with spectra: 1 MS (GC)

(3S,8R,9S,10R,13S,14S,17S)-17-(5-chloranylpent-1-ynyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 9TB8wS8zBpg
InChI InChI=1S/C24H35ClO2/c1-22-12-8-18(26)16-17(22)6-7-19-20(22)9-13-23(2)21(19)10-14-24(23,27)11-4-3-5-15-25/h6,18-21,26-27H,3,5,7-10,12-16H2,1-2H3/t18-,19+,20-,21-,22-,23-,24-/m0/s1
InChIKey RXWJWTPDTWALBJ-IWMXCVPLSA-N
Mol Weight 391.0 g/mol
Molecular Formula C24H35ClO2
Exact Mass 390.232558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADDkmonQtoK
Name (3S,8R,9S,10R,13S,14S,17S)-17-(5-chloranylpent-1-ynyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Alternate Name(s) (3S,8R,9S,10R,13S,14S,17S)-17-(5-chloropent-1-ynyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35ClO2
InChI InChI=1S/C24H35ClO2/c1-22-12-8-18(26)16-17(22)6-7-19-20(22)9-13-23(2)21(19)10-14-24(23,27)11-4-3-5-15-25/h6,18-21,26-27H,3,5,7-10,12-16H2,1-2H3/t18-,19+,20-,21-,22-,23-,24-/m0/s1
InChIKey RXWJWTPDTWALBJ-IWMXCVPLSA-N
Molecular Weight 390.995 g/mol
SMILES O[C@]1(CC[C@]2([C@@]3(CC=C4[C@](CC[C@@](C4)(O)[H])([C@]3(CC[C@]12C)[H])C)[H])[H])C#CCCCCl
SPLASH splash10-0arc-8956000000-deb5f3f3fd562d768b3f
Source of Spectrum SK-24-740-0
Wiley ID 866186