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anti-(1R,3R)-1-Cyclohexyl-3-[(1S,4R)-2-oxobornane-10-sulfenyl]-3-phenyl-1-propanol
SpectraBase Compound ID CX0gU8UUGyw
InChI InChI=1S/C25H36O2S/c1-24(2)20-13-14-25(24,23(27)15-20)17-28-22(19-11-7-4-8-12-19)16-21(26)18-9-5-3-6-10-18/h4,7-8,11-12,18,20-22,26H,3,5-6,9-10,13-17H2,1-2H3/t20-,21-,22-,25-/m1/s1
InChIKey UGGJXVOWEOFJSI-NMOFPLQQSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O2S
Exact Mass 400.243602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2KcVzrd7dt
Name anti-(1R,3R)-1-Cyclohexyl-3-[(1S,4R)-2-oxobornane-10-sulfenyl]-3-phenyl-1-propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O2S
InChI InChI=1S/C25H36O2S/c1-24(2)20-13-14-25(24,23(27)15-20)17-28-22(19-11-7-4-8-12-19)16-21(26)18-9-5-3-6-10-18/h4,7-8,11-12,18,20-22,26H,3,5-6,9-10,13-17H2,1-2H3/t20-,21-,22-,25-/m1/s1
InChIKey UGGJXVOWEOFJSI-NMOFPLQQSA-N
Molecular Weight 400.621 g/mol
SMILES O[C@](C[C@](c1ccccc1)(SC[C@]12C(C[C@@](CC2)(C1(C)C)[H])=O)[H])(C1CCCCC1)[H]
SPLASH splash10-0apj-6930000000-82f8357ac22151cb9bed
Source of Spectrum KD-15-899-4
Synonyms (1S,4R)-1-({[(1R,3R)-3-cyclohexyl-3-hydroxy-1-phenylpropyl]sulfanyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Wiley ID 1636862