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(6S)-2,4,4-trimethyl-6-oxidanyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-2-en-1-one

View entire compound with spectra: 1 MS (GC)

(6S)-2,4,4-trimethyl-6-oxidanyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-2-en-1-one
SpectraBase Compound ID L1qDXrPRTXm
InChI InChI=1S/C31H38O3/c1-22(13-9-10-14-23(2)17-12-18-25(4)27(6)32)15-11-16-24(3)19-20-28-26(5)30(34)29(33)21-31(28,7)8/h9-18,29,33H,21H2,1-8H3/b10-9+,15-11+,17-12+,22-13+,23-14+,24-16+,25-18+/t29-/m0/s1
InChIKey NIJIWUMFAXOVCR-VBQJELNCSA-N
Mol Weight 458.6 g/mol
Molecular Formula C31H38O3
Exact Mass 458.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EuOvxOQM3s
Name (6S)-2,4,4-trimethyl-6-oxidanyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H38O3
InChI InChI=1S/C31H38O3/c1-22(13-9-10-14-23(2)17-12-18-25(4)27(6)32)15-11-16-24(3)19-20-28-26(5)30(34)29(33)21-31(28,7)8/h9-18,29,33H,21H2,1-8H3/b10-9+,15-11+,17-12+,22-13+,23-14+,24-16+,25-18+/t29-/m0/s1
InChIKey NIJIWUMFAXOVCR-VBQJELNCSA-N
Molecular Weight 458.642 g/mol
SMILES O[C@]1(CC(C(=C(C1=O)C)C#C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(=O)C)C)C)C)C)(C)C)[H]
SPLASH splash10-052f-9300300000-d89baa84a3989d4a32a1
Source of Spectrum SB-51-1214-1
Synonyms (6S)-6-hydroxy-2,4,4-trimethyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxo-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]cyclohex-2-en-1-one (6S)-6-hydroxy-2,4,4-trimethyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxooctadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]-1-cyclohex-2-enone (6S)-6-hydroxy-3-[(3E,5E,7E,9E,11E,13E,15E)-17-keto-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
Wiley ID 1390099