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(1S,2R,5R,7S,9R)-5-[(1'S)-1'-Hydroxy-1',3'-diphenyl-2'-propyn-1'-yl)]-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.0(2,7)]undecane

View entire compound with spectra: 1 MS (GC)

(1S,2R,5R,7S,9R)-5-[(1'S)-1'-Hydroxy-1',3'-diphenyl-2'-propyn-1'-yl)]-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.0(2,7)]undecane
SpectraBase Compound ID 5W41DtCwNug
InChI InChI=1S/C26H28O2S/c1-25(2)20-15-22(25)21-17-28-24(29-23(21)16-20)26(27,19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12,20-24,27H,15-17H2,1-2H3/t20-,21+,22+,23+,24-,26-/m1/s1
InChIKey DNRIDUTUECKIAM-SWHDHMNDSA-N
Mol Weight 404.57 g/mol
Molecular Formula C26H28O2S
Exact Mass 404.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71oDtODw7qj
Name (1S,2R,5R,7S,9R)-5-[(1'S)-1'-Hydroxy-1',3'-diphenyl-2'-propyn-1'-yl)]-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.0(2,7)]undecane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O2S
InChI InChI=1S/C26H28O2S/c1-25(2)20-15-22(25)21-17-28-24(29-23(21)16-20)26(27,19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12,20-24,27H,15-17H2,1-2H3/t20-,21+,22+,23+,24-,26-/m1/s1
InChIKey DNRIDUTUECKIAM-SWHDHMNDSA-N
Molecular Weight 404.568 g/mol
SMILES O[C@@](C#Cc1ccccc1)([C@@]1(OC[C@]2([C@]3(C(C)(C)[C@](C3)(C[C@@]2(S1)[H])[H])[H])[H])[H])c1ccccc1
SPLASH splash10-002b-4900000000-8914d817c47ef4c3f0d0
Source of Spectrum KD-14-3229-3
Wiley ID 1636460