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(3.alpha.,3a.alpha.,5.beta.7a.beta.)-(+-)-3-[(2,2-Dimethylpropyl)-7a-methyl-5-[1-methyl-1-(phenylthio)ethyl]hexahydro-2(3H)-benzofuranone
SpectraBase Compound ID GTUkz5oa0BW
InChI InChI=1S/C23H34O2S/c1-21(2,3)15-18-19-14-16(12-13-23(19,6)25-20(18)24)22(4,5)26-17-10-8-7-9-11-17/h7-11,16,18-19H,12-15H2,1-6H3/t16-,18+,19+,23-/m1/s1
InChIKey OYNKVHFGVUAEKJ-ZQDYSYBYSA-N
Mol Weight 374.6 g/mol
Molecular Formula C23H34O2S
Exact Mass 374.227952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IeMonI2uxuo
Name (3.alpha.,3a.alpha.,5.beta.7a.beta.)-(+-)-3-[(2,2-Dimethylpropyl)-7a-methyl-5-[1-methyl-1-(phenylthio)ethyl]hexahydro-2(3H)-benzofuranone
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Formula C23H34O2S
InChI InChI=1S/C23H34O2S/c1-21(2,3)15-18-19-14-16(12-13-23(19,6)25-20(18)24)22(4,5)26-17-10-8-7-9-11-17/h7-11,16,18-19H,12-15H2,1-6H3/t16-,18+,19+,23-/m1/s1
InChIKey OYNKVHFGVUAEKJ-ZQDYSYBYSA-N
Molecular Weight 374.583 g/mol
SMILES C1(O[C@@]2(CC[C@@](C(Sc3ccccc3)(C)C)(C[C@]2([C@@]1(CC(C)(C)C)[H])[H])[H])C)=O
SPLASH splash10-0670-4791000000-31c4e6320e7c33b2f35d
Source of Spectrum C-118-9840-26
Synonyms (3S,3aS,5R,7aR)-7a-methyl-5-[1-methyl-1-(phenylsulfanyl)ethyl]-3-neopentylhexahydro-1-benzofuran-2(3H)-one
Wiley ID 759979