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4-Acetoxy-1-[(2-methoxyethoxy)methoxy]-6-(thiophenoxy)-1.alpha.,2,3,3a.alpha.,4.alpha.,5,6a.beta.,8a.alpha.-octahydroazulene

View entire compound with spectra: 1 MS (GC)

4-Acetoxy-1-[(2-methoxyethoxy)methoxy]-6-(thiophenoxy)-1.alpha.,2,3,3a.alpha.,4.alpha.,5,6a.beta.,8a.alpha.-octahydroazulene
SpectraBase Compound ID 4Bw8SSS5RrG
InChI InChI=1S/C22H30O5S/c1-16(23)27-22-14-18(28-17-6-4-3-5-7-17)8-9-19-20(22)10-11-21(19)26-15-25-13-12-24-2/h3-9,18-22H,10-15H2,1-2H3/t18-,19+,20+,21+,22+/m1/s1
InChIKey XRCLRBWWMOKKCU-FXTUREPZSA-N
Mol Weight 406.54 g/mol
Molecular Formula C22H30O5S
Exact Mass 406.181395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KixLuqSAg3k
Name 4-Acetoxy-1-[(2-methoxyethoxy)methoxy]-6-(thiophenoxy)-1.alpha.,2,3,3a.alpha.,4.alpha.,5,6a.beta.,8a.alpha.-octahydroazulene
CAS Registry Number 105638-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O5S
InChI InChI=1S/C22H30O5S/c1-16(23)27-22-14-18(28-17-6-4-3-5-7-17)8-9-19-20(22)10-11-21(19)26-15-25-13-12-24-2/h3-9,18-22H,10-15H2,1-2H3/t18-,19+,20+,21+,22+/m1/s1
InChIKey XRCLRBWWMOKKCU-FXTUREPZSA-N
Molecular Weight 406.537 g/mol
SMILES [C@@]1([C@@]2([C@](C=C[C@](C1)(Sc1ccccc1)[H])([C@@](OCOCCOC)(CC2)[H])[H])[H])(OC(=O)C)[H]
SPLASH splash10-001r-3920000000-b3796d8a8ecdca9cd147
Source of Spectrum J-52-40-13
Synonyms (1S,3aS,4S,6S,8aS)-1-[(2-methoxyethoxy)methoxy]-6-(phenylsulfanyl)-1,2,3,3a,4,5,6,8a-octahydro-4-azulenyl acetate
Wiley ID 1372133