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(2S,3aR,7aR)-2-(phenylthiomethyl)-3-vinyloctahydro-1H-inden-3a-ol
SpectraBase Compound ID DP54lQFUyFm
InChI InChI=1S/C18H24OS/c1-2-17-14(13-20-16-9-4-3-5-10-16)12-15-8-6-7-11-18(15,17)19/h2-5,9-10,14-15,17,19H,1,6-8,11-13H2/t14-,15-,17+,18-/m1/s1
InChIKey JCBUGIDHBZKHJT-XYVMCAHJSA-N
Mol Weight 288.45 g/mol
Molecular Formula C18H24OS
Exact Mass 288.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TDRoYPgERn
Name (2S,3aR,7aR)-2-(phenylthiomethyl)-3-vinyloctahydro-1H-inden-3a-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24OS
InChI InChI=1S/C18H24OS/c1-2-17-14(13-20-16-9-4-3-5-10-16)12-15-8-6-7-11-18(15,17)19/h2-5,9-10,14-15,17,19H,1,6-8,11-13H2/t14-,15-,17+,18-/m1/s1
InChIKey JCBUGIDHBZKHJT-XYVMCAHJSA-N
Literature Reference DOI 10.1021/ol901818j
Molecular Weight 288.449 g/mol
SMILES O[C@]12[C@@](C=C)([C@@](CSc3ccccc3)(C[C@@]2([H])CCCC1)[H])[H]
SPLASH splash10-0006-9110000000-eeffc34c51eceed39273
Source of Spectrum A1-11-4576/SMS10-21
Synonyms (2S,3S,3aR,7aR)-2-((phenylthio)methyl)-3-vinyloctahydro-1H-inden-3a-ol
Wiley ID 1757483