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Retinol, 9,10-dihydro-9-(phenylsulfonyl)-, acetate
SpectraBase Compound ID 9WjzWJ0ToSZ
InChI InChI=1S/C28H38O4S/c1-22(17-21-32-24(3)29)12-10-19-28(6,33(30,31)25-14-8-7-9-15-25)20-16-26-23(2)13-11-18-27(26,4)5/h7-10,12,14-17,20H,11,13,18-19,21H2,1-6H3/b12-10+,20-16+,22-17+
InChIKey UVEWUOPTOFAPCY-CLTNXONCSA-N
Mol Weight 470.7 g/mol
Molecular Formula C28H38O4S
Exact Mass 470.249081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zxpbIdUfgX
Name Retinol, 9,10-dihydro-9-(phenylsulfonyl)-, acetate
CAS Registry Number 59385-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O4S
InChI InChI=1S/C28H38O4S/c1-22(17-21-32-24(3)29)12-10-19-28(6,33(30,31)25-14-8-7-9-15-25)20-16-26-23(2)13-11-18-27(26,4)5/h7-10,12,14-17,20H,11,13,18-19,21H2,1-6H3/b12-10+,20-16+,22-17+
InChIKey UVEWUOPTOFAPCY-CLTNXONCSA-N
Molecular Weight 470.668 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(\C=C\C1=C(CCCC1(C)C)C)(C\C=C\C(=C\COC(=O)C)C)C
SPLASH splash10-05r4-9520000000-d4b398c530985cd590a5
Source of Spectrum H-59-403-12
Synonyms all-E-3,7-dimethyl-7-(phenylsulfonyl)-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,8-nonatrienyl-acetate O(15)-acetyl-9-(phenylsulfonyl)-9,10-dihydroretinol
Wiley ID 1392894