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(3S,8R,9S,10R,13S,14S,17S)-17-(5-bromanylpent-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-bromanylpent-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 1hpez0vvbb2
InChI InChI=1S/C24H35BrO2/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 UVTIXQRWPPWAMZ-IWMXCVPLSA-N
Mol Weight 435.4 g/mol
Molecular Formula C24H35BrO2
Exact Mass 434.182043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID THXyFWyvI
Name (3S,8R,9S,10R,13S,14S,17S)-17-(5-bromanylpent-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-bromopent-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 C24H35BrO2
InChI InChI=1S/C24H35BrO2/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 UVTIXQRWPPWAMZ-IWMXCVPLSA-N
Molecular Weight 435.446 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#CCCCBr
SPLASH splash10-0cgl-6932300000-ca69f5df3b8470a832bf
Source of Spectrum SK-24-742-0
Wiley ID 866183