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(+-)-3c-benzenesulfonyl-2c-hydroxymethyl-7,7-dimethyl-(3ar,7at)-octahydro-inden-4-one ethane-1,2-diyl acetal
SpectraBase Compound ID N0CSZpSM0N
InChI InChI=1S/C20H28O5S/c1-19(2)8-9-20(24-10-11-25-20)17-16(19)12-14(13-21)18(17)26(22,23)15-6-4-3-5-7-15/h3-7,14,16-18,21H,8-13H2,1-2H3/t14-,16-,17-,18+/m0/s1
InChIKey NQNYTFDDIRROKZ-LEUOFYLZSA-N
Mol Weight 380.5 g/mol
Molecular Formula C20H28O5S
Exact Mass 380.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1dl4P2Gsdb
Name (+-)-3c-benzenesulfonyl-2c-hydroxymethyl-7,7-dimethyl-(3ar,7at)-octahydro-inden-4-one ethane-1,2-diyl acetal
CAS Registry Number 124094-17-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O5S
InChI InChI=1S/C20H28O5S/c1-19(2)8-9-20(24-10-11-25-20)17-16(19)12-14(13-21)18(17)26(22,23)15-6-4-3-5-7-15/h3-7,14,16-18,21H,8-13H2,1-2H3/t14-,16-,17-,18+/m0/s1
InChIKey NQNYTFDDIRROKZ-LEUOFYLZSA-N
Molecular Weight 380.499 g/mol
SMILES OC[C@]1([C@]([C@@]2([C@@](C(C)(C)CCC22OCCO2)(C1)[H])[H])(S(=O)(=O)c1ccccc1)[H])[H]
SPLASH splash10-000b-9070000000-377a85aa385519caed88
Source of Spectrum F-45-667-15
Synonyms (+-)-3c-benzenesulfonyl-2c-hydroxymethyl-7,7-dimethyl-(3ar,7ac)-octahydro-inden-4-one ethane-1,2-diyl acetal (2'S,3'R,3'aR,7'aS)-3'-(benzenesulfonyl)-7',7'-dimethyl-octahydrospiro[1,3-dioxolane-2,4'-indene]-2'-ylmethanol
Wiley ID 1359674