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(7R,8R,9S,13S,14S,17S)-13-methyl-7-(6-sulfanylhexyl)-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-sulfanylhexyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 1Z8ANHZ6LGj
InChI InChI=1S/C24H36O2S/c1-24-12-11-20-19-8-7-18(25)15-17(19)14-16(6-4-2-3-5-13-27)23(20)21(24)9-10-22(24)26/h7-8,15-16,20-23,25-27H,2-6,9-14H2,1H3/t16-,20-,21+,22+,23-,24+/m1/s1
InChIKey KQBXJVSXVYGBAK-KTSMFKKLSA-N
Mol Weight 388.6 g/mol
Molecular Formula C24H36O2S
Exact Mass 388.243602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2ir0gwQwFM
Name (7R,8R,9S,13S,14S,17S)-13-methyl-7-(6-sulfanylhexyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O2S
InChI InChI=1S/C24H36O2S/c1-24-12-11-20-19-8-7-18(25)15-17(19)14-16(6-4-2-3-5-13-27)23(20)21(24)9-10-22(24)26/h7-8,15-16,20-23,25-27H,2-6,9-14H2,1H3/t16-,20-,21+,22+,23-,24+/m1/s1
InChIKey KQBXJVSXVYGBAK-KTSMFKKLSA-N
Molecular Weight 388.610 g/mol
SMILES O[C@]1(CC[C@]2([C@]3([C@@](c4ccc(cc4C[C@]3(CCCCCCS)[H])O)(CC[C@]12C)[H])[H])[H])[H]
SPLASH splash10-0a4r-9006000000-2cb91104b1dda1d996d9
Source of Spectrum J-64-8115-16
Synonyms (7R,8R,9S,13S,14S,17S)-7-(6-mercaptohexyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1531377