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(7R,8R,9S,13S,14S,17S)-13-methyl-7-[6-(2-methylsulfanylethylsulfanyl)hexyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

View entire compound with spectra: 1 MS (GC)

(7R,8R,9S,13S,14S,17S)-13-methyl-7-[6-(2-methylsulfanylethylsulfanyl)hexyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 2zhpPWmCxxJ
InChI InChI=1S/C27H42O2S2/c1-27-13-12-23-22-9-8-21(28)18-20(22)17-19(26(23)24(27)10-11-25(27)29)7-5-3-4-6-14-31-16-15-30-2/h8-9,18-19,23-26,28-29H,3-7,10-17H2,1-2H3/t19-,23-,24+,25+,26-,27+/m1/s1
InChIKey GYAYXRRSTWVRLO-NJGGNICLSA-N
Mol Weight 462.8 g/mol
Molecular Formula C27H42O2S2
Exact Mass 462.262623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uxzCYlQU8w
Name (7R,8R,9S,13S,14S,17S)-13-methyl-7-[6-(2-methylsulfanylethylsulfanyl)hexyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O2S2
InChI InChI=1S/C27H42O2S2/c1-27-13-12-23-22-9-8-21(28)18-20(22)17-19(26(23)24(27)10-11-25(27)29)7-5-3-4-6-14-31-16-15-30-2/h8-9,18-19,23-26,28-29H,3-7,10-17H2,1-2H3/t19-,23-,24+,25+,26-,27+/m1/s1
InChIKey GYAYXRRSTWVRLO-NJGGNICLSA-N
Molecular Weight 462.751 g/mol
SMILES O[C@]1(CC[C@]2([C@@]3([C@@](Cc4c(ccc(c4)O)[C@]3(CC[C@]12C)[H])(CCCCCCSCCSC)[H])[H])[H])[H]
SPLASH splash10-03fr-8400900000-3d8a433bf33d15f6b24b
Source of Spectrum J-64-8116-24
Synonyms (7R,8R,9S,13S,14S,17S)-13-methyl-7-[6-[2-(methylthio)ethylthio]hexyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1531374