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

View entire compound with spectra: 1 MS (GC)

4-Acetoxy-1-[(2-methoxyethoxy)methoxy]-8-(thiophenoxy)-1.alpha.,2,3,3a.alpha.,4.alpha.,5,8.beta.,8a.alpha.-ovtahydroazulene
SpectraBase Compound ID Aiu1lPyjSDT
InChI InChI=1S/C22H30O5S/c1-16(23)27-19-9-6-10-21(28-17-7-4-3-5-8-17)22-18(19)11-12-20(22)26-15-25-14-13-24-2/h3-8,10,18-22H,9,11-15H2,1-2H3/t18-,19+,20+,21+,22+/m1/s1
InChIKey HKODVMOETPJFGR-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 7sVg2YOB1G1
Name 4-Acetoxy-1-[(2-methoxyethoxy)methoxy]-8-(thiophenoxy)-1.alpha.,2,3,3a.alpha.,4.alpha.,5,8.beta.,8a.alpha.-ovtahydroazulene
CAS Registry Number 105619-91-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O5S
InChI InChI=1S/C22H30O5S/c1-16(23)27-19-9-6-10-21(28-17-7-4-3-5-8-17)22-18(19)11-12-20(22)26-15-25-14-13-24-2/h3-8,10,18-22H,9,11-15H2,1-2H3/t18-,19+,20+,21+,22+/m1/s1
InChIKey HKODVMOETPJFGR-FXTUREPZSA-N
Molecular Weight 406.537 g/mol
SMILES [C@@]12([C@@](Sc3ccccc3)(C=CC[C@@]([C@]1(CC[C@@]2(OCOCCOC)[H])[H])(OC(=O)C)[H])[H])[H]
SPLASH splash10-001r-2912000000-2268594cf2a2d27e5b00
Source of Spectrum J-52-40-14
Synonyms (1S,3aS,4S,8S,8aS)-1-[(2-methoxyethoxy)methoxy]-8-(phenylsulfanyl)-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl acetate
Wiley ID 1372134