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(.alpha.,(.xi.))-.alpha.-[(1.xi.,3S,5R)-3,5-Dimethyl-2-methylenecyclopentyl]methyl-1-(phenylsulfonyl)-.alpha.-[(phenylsulfonyl)methyl]-1H-pyrrole-3-methanol
SpectraBase Compound ID 1lB4ax7qlei
InChI InChI=1S/C27H31NO5S2/c1-20-16-21(2)26(22(20)3)17-27(29,19-34(30,31)24-10-6-4-7-11-24)23-14-15-28(18-23)35(32,33)25-12-8-5-9-13-25/h4-15,18,20-21,26,29H,3,16-17,19H2,1-2H3/t20-,21+,26?,27?/m0/s1
InChIKey SNHLJNXWTOOJDY-QVVOPEDKSA-N
Mol Weight 513.67 g/mol
Molecular Formula C27H31NO5S2
Exact Mass 513.164365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YwqM6D4qWz
Name (.alpha.,(.xi.))-.alpha.-[(1.xi.,3S,5R)-3,5-Dimethyl-2-methylenecyclopentyl]methyl-1-(phenylsulfonyl)-.alpha.-[(phenylsulfonyl)methyl]-1H-pyrrole-3-methanol
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Formula C27H31NO5S2
InChI InChI=1S/C27H31NO5S2/c1-20-16-21(2)26(22(20)3)17-27(29,19-34(30,31)24-10-6-4-7-11-24)23-14-15-28(18-23)35(32,33)25-12-8-5-9-13-25/h4-15,18,20-21,26,29H,3,16-17,19H2,1-2H3/t20-,21+,26?,27?/m0/s1
InChIKey SNHLJNXWTOOJDY-QVVOPEDKSA-N
Molecular Weight 513.667 g/mol
SMILES OC(c1c[n](S(=O)(=O)c2ccccc2)cc1)(CS(=O)(=O)c1ccccc1)CC1C([C@@](C)(C[C@]1(C)[H])[H])=C
SPLASH splash10-004i-9231000000-1bde9e5342cd4de69116
Source of Spectrum E1-42-861-27
Synonyms 1-(benzenesulfonyl)-2-[1-(benzenesulfonyl)-3-pyrrolyl]-3-[(3S,5R)-3,5-dimethyl-2-methylenecyclopentyl]-2-propanol 1-(benzenesulfonyl)-2-[1-(benzenesulfonyl)pyrrol-3-yl]-3-[(3S,5R)-3,5-dimethyl-2-methylidenecyclopentyl]propan-2-ol 1-(benzenesulfonyl)-2-[1-(benzenesulfonyl)pyrrol-3-yl]-3-[(3S,5R)-3,5-dimethyl-2-methylene-cyclopentyl]propan-2-ol 1-[(3S,5R)-3,5-dimethyl-2-methylidene-cyclopentyl]-3-(phenylsulfonyl)-2-[1-(phenylsulfonyl)pyrrol-3-yl]propan-2-ol
Wiley ID 1552546