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(8R,9S,13S,14S)-16-[bis(methylsulfanyl)methylene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one

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(8R,9S,13S,14S)-16-[bis(methylsulfanyl)methylene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 7YzBH33mip6
InChI InChI=1S/C22H28O2S2/c1-22-10-9-16-15-8-6-14(24-2)11-13(15)5-7-17(16)19(22)12-18(20(22)23)21(25-3)26-4/h6,8,11,16-17,19H,5,7,9-10,12H2,1-4H3/t16-,17-,19+,22+/m1/s1
InChIKey AGTDLVZILZRRFQ-JXOCDABTSA-N
Mol Weight 388.58 g/mol
Molecular Formula C22H28O2S2
Exact Mass 388.153072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BH85LXI4vJo
Name (8R,9S,13S,14S)-16-[bis(methylsulfanyl)methylene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O2S2
InChI InChI=1S/C22H28O2S2/c1-22-10-9-16-15-8-6-14(24-2)11-13(15)5-7-17(16)19(22)12-18(20(22)23)21(25-3)26-4/h6,8,11,16-17,19H,5,7,9-10,12H2,1-4H3/t16-,17-,19+,22+/m1/s1
InChIKey AGTDLVZILZRRFQ-JXOCDABTSA-N
Molecular Weight 388.584 g/mol
SMILES c1(ccc2c(c1)CC[C@]1([C@@]3(CC(C([C@@]3(C)CC[C@]21[H])=O)=C(SC)SC)[H])[H])OC
SPLASH splash10-0079-0009000000-f947f64d8b6128efaa5f
Source of Spectrum SO-0-842-2
Synonyms (8R,9S,13S,14S)-16-[bis(methylsulfanyl)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one (8R,9S,13S,14S)-16-[bis(methylthio)methylene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one (8R,9S,13S,14S)-16-[bis(methylthio)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Wiley ID 1545871