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4-.beta.-(Hydroxycarbonyl)-5-.beta.-[(t-butoxycarbonyl)methyl]-7,7-dimethyl-2-(phenylthio)bicyclo[3.3.0]oct-1-ene
SpectraBase Compound ID BOZEJ2mG8IG
InChI InChI=1S/C23H30O4S/c1-21(2,3)27-19(24)13-23-14-22(4,5)12-17(23)18(11-16(23)20(25)26)28-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3,(H,25,26)/t16-,23-/m0/s1
InChIKey FMSIJOOUMLTTQQ-HJPURHCSSA-N
Mol Weight 402.55 g/mol
Molecular Formula C23H30O4S
Exact Mass 402.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ovuiwZyVZ0
Name 4-.beta.-(Hydroxycarbonyl)-5-.beta.-[(t-butoxycarbonyl)methyl]-7,7-dimethyl-2-(phenylthio)bicyclo[3.3.0]oct-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O4S
InChI InChI=1S/C23H30O4S/c1-21(2,3)27-19(24)13-23-14-22(4,5)12-17(23)18(11-16(23)20(25)26)28-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3,(H,25,26)/t16-,23-/m0/s1
InChIKey FMSIJOOUMLTTQQ-HJPURHCSSA-N
Molecular Weight 402.549 g/mol
SMILES OC([C@]1([C@]2(C(=C(Sc3ccccc3)C1)CC(C2)(C)C)CC(OC(C)(C)C)=O)[H])=O
SPLASH splash10-0a4r-9042000000-9d184a86780ca513c9c3
Source of Spectrum D9-7-57-26
Synonyms (1R,6aR)-6a-(2-tert-butoxy-2-oxoethyl)-5,5-dimethyl-3-(phenylsulfanyl)-1,2,4,5,6,6a-hexahydro-1-pentalenecarboxylic acid
Wiley ID 1546246