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(11R,13S)-11-Benzenesulfonyl-labd-7-en-13,15-diol
SpectraBase Compound ID EaTq5RH8mxK
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+/m1/s1
InChIKey ZLEYQTCLPKIOGX-RZIGWGPESA-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 3RaZP7jrdI
Name (11R,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+/m1/s1
InChIKey ZLEYQTCLPKIOGX-RZIGWGPESA-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 splash10-014u-9060000000-8d918d76483c10508dac
Source of Spectrum F-50-156-27
Synonyms (3R,5R)-5-Benzenesulfonyl-3-methyl-5-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl)-pentane-1,3-diol (3S,5R)-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 1387244