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1-Acetoxy-3,7-dimethyl-5-(phenylsulfonyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-triene

View entire compound with spectra: 1 MS (GC)

1-Acetoxy-3,7-dimethyl-5-(phenylsulfonyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-triene
SpectraBase Compound ID APPGRlV3tOy
InChI InChI=1S/C28H38O4S/c1-21(14-15-27-23(3)11-10-17-28(27,5)6)19-26(20-22(2)16-18-32-24(4)29)33(30,31)25-12-8-7-9-13-25/h7-9,12-16,19,26H,10-11,17-18,20H2,1-6H3/b15-14+,21-19+,22-16+
InChIKey SZFVBHITSFXTKL-KNZFTCEKSA-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 568w4Yca6jd
Name 1-Acetoxy-3,7-dimethyl-5-(phenylsulfonyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-triene
CAS Registry Number 67689-07-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O4S
InChI InChI=1S/C28H38O4S/c1-21(14-15-27-23(3)11-10-17-28(27,5)6)19-26(20-22(2)16-18-32-24(4)29)33(30,31)25-12-8-7-9-13-25/h7-9,12-16,19,26H,10-11,17-18,20H2,1-6H3/b15-14+,21-19+,22-16+
InChIKey SZFVBHITSFXTKL-KNZFTCEKSA-N
Molecular Weight 470.668 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C\C(=C\COC(=O)C)C
SPLASH splash10-004i-0009000000-9191c79a467baedc4763
Source of Spectrum J-43-4772-0
Synonyms acetic acid[(2E,6E,8E)-5-(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,6,8-trienyl]ester acetic acid[(2E,6E,8E)-5-besyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trienyl]ester O(15)-acetyl-11-(phenylsulfonyl)-11,12-dihydroretinol [(2E,6E,8E)-3,7-dimethyl-5-(phenylsulfonyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trienyl]ethanoate [(2E,6E,8E)-5-(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trienyl]acetate acetic acid [(2E,6E,8E)-5-(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,6,8-trienyl] ester [(2E,6E,8E)-5-(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trienyl] acetate [(2E,6E,8E)-3,7-dimethyl-5-(phenylsulfonyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trienyl] ethanoate
Wiley ID 1392895