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4-.beta.-(Hydroxymethyl)-5-.beta.-[(t-butoxycarbonyl)methyl]-7,7-dimethyl-2-(phenylthio)bicyclo[3.3.0]oct-1-ene
SpectraBase Compound ID 48xIiZf2JMF
InChI InChI=1S/C23H32O3S/c1-21(2,3)26-20(25)13-23-15-22(4,5)12-18(23)19(11-16(23)14-24)27-17-9-7-6-8-10-17/h6-10,16,24H,11-15H2,1-5H3/t16-,23-/m0/s1
InChIKey PCTLKEQSKAOKPP-HJPURHCSSA-N
Mol Weight 388.6 g/mol
Molecular Formula C23H32O3S
Exact Mass 388.207216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99QIOmP10rx
Name 4-.beta.-(Hydroxymethyl)-5-.beta.-[(t-butoxycarbonyl)methyl]-7,7-dimethyl-2-(phenylthio)bicyclo[3.3.0]oct-1-ene
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Formula C23H32O3S
InChI InChI=1S/C23H32O3S/c1-21(2,3)26-20(25)13-23-15-22(4,5)12-18(23)19(11-16(23)14-24)27-17-9-7-6-8-10-17/h6-10,16,24H,11-15H2,1-5H3/t16-,23-/m0/s1
InChIKey PCTLKEQSKAOKPP-HJPURHCSSA-N
Molecular Weight 388.566 g/mol
SMILES OC[C@]1([C@]2(C(=C(Sc3ccccc3)C1)CC(C2)(C)C)CC(OC(C)(C)C)=O)[H]
SPLASH splash10-0kmi-9388000000-71075d584407251c31d3
Source of Spectrum D9-7-58-28
Synonyms tert-Butyl ((3aR,4R)-4-(hydroxymethyl)-2,2-dimethyl-6-(phenylsulfanyl)-2,3,4,5-tetrahydro-3a(1H)-pentalenyl)acetate
Wiley ID 1546244