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rel-(5R,6S,10S)-6-[2-(methoxymethoxy)ethyl]-6,10-dimethyl-3-(phenylthio)spiro[4.5]dec-7-en-2-one
SpectraBase Compound ID AxgYTVWrRat
InChI InChI=1S/C22H30O3S/c1-17-8-7-11-21(2,12-13-25-16-24-3)22(17)14-19(23)20(15-22)26-18-9-5-4-6-10-18/h4-7,9-11,17,20H,8,12-16H2,1-3H3/t17-,20?,21+,22+/m0/s1
InChIKey CYBHKFJXOVLCRL-BGMYVTITSA-N
Mol Weight 374.54 g/mol
Molecular Formula C22H30O3S
Exact Mass 374.191566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uZtbyiU1nJ
Name rel-(5R,6S,10S)-6-[2-(methoxymethoxy)ethyl]-6,10-dimethyl-3-(phenylthio)spiro[4.5]dec-7-en-2-one
CAS Registry Number 113353-11-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O3S
InChI InChI=1S/C22H30O3S/c1-17-8-7-11-21(2,12-13-25-16-24-3)22(17)14-19(23)20(15-22)26-18-9-5-4-6-10-18/h4-7,9-11,17,20H,8,12-16H2,1-3H3/t17-,20?,21+,22+/m0/s1
InChIKey CYBHKFJXOVLCRL-BGMYVTITSA-N
Molecular Weight 374.539 g/mol
SMILES [C@]12(CC(=O)C(C2)Sc2ccccc2)[C@](C=CC[C@@]1(C)[H])(CCOCOC)C
SPLASH splash10-0a4i-0914000000-b1efc769311f94cda6c3
Source of Spectrum J-53-1626-17
Synonyms (5R,6S,10S)-6-[2-(methoxymethoxy)ethyl]-6,10-dimethyl-3-(phenylsulfanyl)spiro[4.5]dec-7-en-2-one
Wiley ID 1356733