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(11S,13S)-11-Benzenesulfonyl-labd-7-en-13,15-diol
SpectraBase Compound ID CssL57uHxeD
InChI InChI=1S/C26H40O4S/c1-19-12-13-22-24(2,3)14-9-15-26(22,5)23(19)21(18-25(4,28)16-17-27)31(29,30)20-10-7-6-8-11-20/h6-8,10-12,21-23,27-28H,9,13-18H2,1-5H3/t21-,22+,23-,25+,26+/m0/s1
InChIKey ZLEYQTCLPKIOGX-RNOBHQARSA-N
Mol Weight 448.7 g/mol
Molecular Formula C26H40O4S
Exact Mass 448.264731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5JtGz6DXXA
Name (11S,13S)-11-Benzenesulfonyl-labd-7-en-13,15-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O4S
InChI InChI=1S/C26H40O4S/c1-19-12-13-22-24(2,3)14-9-15-26(22,5)23(19)21(18-25(4,28)16-17-27)31(29,30)20-10-7-6-8-11-20/h6-8,10-12,21-23,27-28H,9,13-18H2,1-5H3/t21-,22+,23-,25+,26+/m0/s1
InChIKey ZLEYQTCLPKIOGX-RNOBHQARSA-N
Molecular Weight 448.662 g/mol
SMILES OCC[C@](C[C@](S(=O)(=O)c1ccccc1)([C@]1([C@]2([C@](C(C)(C)CCC2)([H])CC=C1C)C)[H])[H])(O)C
SPLASH splash10-00ku-9020000000-d34d55d6b575434098e3
Source of Spectrum F-50-156-28
Synonyms (3R,5S)-5-Benzenesulfonyl-3-methyl-5-((1R,4aR,8aR)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl)-pentane-1,3-diol (3S,5S)-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-3-methyl-5-(phenylsulfonyl)-1,3-pentanediol
Wiley ID 1387243