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(2S,5R)-[2-Hydroperoxy-3-(phenylsulfonyl)]-4-nor-3,4-secocholestan-5-one 2,5-peroxyhemiacetal

View entire compound with spectra: 1 MS (GC)

(2S,5R)-[2-Hydroperoxy-3-(phenylsulfonyl)]-4-nor-3,4-secocholestan-5-one 2,5-peroxyhemiacetal
SpectraBase Compound ID nSLCuKR7v1
InChI InChI=1S/C32H50O5S/c1-22(2)10-9-11-23(3)27-14-15-28-26-16-19-32(33)31(5,29(26)17-18-30(27,28)4)20-24(36-37-32)21-38(34,35)25-12-7-6-8-13-25/h6-8,12-13,22-24,26-29,33H,9-11,14-21H2,1-5H3/t23-,24+,26+,27-,28+,29+,30-,31-,32-/m1/s1
InChIKey WPZMITHURJJJRN-ZLZYGBGPSA-N
Mol Weight 546.8 g/mol
Molecular Formula C32H50O5S
Exact Mass 546.337896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyHZpUCFvUM
Name (2S,5R)-[2-Hydroperoxy-3-(phenylsulfonyl)]-4-nor-3,4-secocholestan-5-one 2,5-peroxyhemiacetal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H50O5S
InChI InChI=1S/C32H50O5S/c1-22(2)10-9-11-23(3)27-14-15-28-26-16-19-32(33)31(5,29(26)17-18-30(27,28)4)20-24(36-37-32)21-38(34,35)25-12-7-6-8-13-25/h6-8,12-13,22-24,26-29,33H,9-11,14-21H2,1-5H3/t23-,24+,26+,27-,28+,29+,30-,31-,32-/m1/s1
InChIKey WPZMITHURJJJRN-ZLZYGBGPSA-N
Molecular Weight 546.807 g/mol
SMILES O[C@@]12[C@](C[C@@](CS(=O)(=O)c3ccccc3)(OO1)[H])([C@@]1([C@]([C@@]3(CC[C@@]([C@]3(CC1)C)([C@@](CCCC(C)C)(C)[H])[H])[H])(CC2)[H])[H])C
SPLASH splash10-004i-9000000000-7cf05e4f73f52cdffc16
Source of Spectrum J-63-4703-24
Synonyms (2S,5R)-[2-Hydroperoxy-3-(phenylsulfonyl)]-4-nor-3,4-secocholestan-5-ole 2,5-peroxyhemiacetal
Wiley ID 1405277