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(1S,2R,5R,7S,9R)-5-[(1'S)-1'-Hydroxy-1',2'-diphenyl-1'-ethyl)]-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.0(2,7)]undecane
SpectraBase Compound ID 5FlTCxMRSAg
InChI InChI=1S/C25H30O2S/c1-24(2)19-13-21(24)20-16-27-23(28-22(20)14-19)25(26,18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-12,19-23,26H,13-16H2,1-2H3/t19-,20+,21+,22+,23-,25+/m1/s1
InChIKey AOASJBKLJMZPEX-IDRTZAGBSA-N
Mol Weight 394.57 g/mol
Molecular Formula C25H30O2S
Exact Mass 394.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40JsxBS9y13
Name (1S,2R,5R,7S,9R)-5-[(1'S)-1'-Hydroxy-1',2'-diphenyl-1'-ethyl)]-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.0(2,7)]undecane
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Formula C25H30O2S
InChI InChI=1S/C25H30O2S/c1-24(2)19-13-21(24)20-16-27-23(28-22(20)14-19)25(26,18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-12,19-23,26H,13-16H2,1-2H3/t19-,20+,21+,22+,23-,25+/m1/s1
InChIKey AOASJBKLJMZPEX-IDRTZAGBSA-N
Molecular Weight 394.573 g/mol
SMILES O[C@@]([C@@]1(OC[C@]2([C@]3(C(C)(C)[C@](C3)(C[C@@]2(S1)[H])[H])[H])[H])[H])(Cc1ccccc1)c1ccccc1
SPLASH splash10-0a6s-4900000000-7b589ef629fb9756e0d0
Source of Spectrum KD-14-3229-3
Wiley ID 1636462