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(3R)-3-[(1R,3aR,4R,7aR)-7a-Methyl-4-(phenylsulfonyl)-octaahydro-1H-indol-1-yl]-1-[(4S)-2,2,5,5-tetramethyl-1,3-dioxaolan-4-yl]butane

View entire compound with spectra: 1 MS (GC)

(3R)-3-[(1R,3aR,4R,7aR)-7a-Methyl-4-(phenylsulfonyl)-octaahydro-1H-indol-1-yl]-1-[(4S)-2,2,5,5-tetramethyl-1,3-dioxaolan-4-yl]butane
SpectraBase Compound ID B9NKsLfK3Hq
InChI InChI=1S/C27H42O4S/c1-19(14-17-24-25(2,3)31-26(4,5)30-24)21-15-16-22-23(13-10-18-27(21,22)6)32(28,29)20-11-8-7-9-12-20/h7-9,11-12,19,21-24H,10,13-18H2,1-6H3/t19-,21-,22+,23-,24?,27-/m1/s1
InChIKey RNBZIDYQKNWWEK-PDSQBCKRSA-N
Mol Weight 462.7 g/mol
Molecular Formula C27H42O4S
Exact Mass 462.280381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41XL7yx5bk
Name (3R)-3-[(1R,3aR,4R,7aR)-7a-Methyl-4-(phenylsulfonyl)-octaahydro-1H-indol-1-yl]-1-[(4S)-2,2,5,5-tetramethyl-1,3-dioxaolan-4-yl]butane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O4S
InChI InChI=1S/C27H42O4S/c1-19(14-17-24-25(2,3)31-26(4,5)30-24)21-15-16-22-23(13-10-18-27(21,22)6)32(28,29)20-11-8-7-9-12-20/h7-9,11-12,19,21-24H,10,13-18H2,1-6H3/t19-,21-,22+,23-,24?,27-/m1/s1
InChIKey RNBZIDYQKNWWEK-PDSQBCKRSA-N
Molecular Weight 462.689 g/mol
SMILES [C@@]1(S(=O)(=O)c2ccccc2)([C@]2([C@]([C@]([C@@](CCC3OC(C)(C)OC3(C)C)(C)[H])([H])CC2)(C)CCC1)[H])[H]
SPLASH splash10-0002-2490700000-e92de6e6e331ddc77f99
Source of Spectrum K1-2004-793-35
Wiley ID 1560399