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(2R,2aR,4aS,7aS,7bS)-5-[(3E)-4,8-Dimethyl-2-(4-methylphenyl)sulfonyl-3,7-nonadienyl]-2-methoxy-2a,3,4,4a,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-6-one

View entire compound with spectra: 1 MS (GC)

(2R,2aR,4aS,7aS,7bS)-5-[(3E)-4,8-Dimethyl-2-(4-methylphenyl)sulfonyl-3,7-nonadienyl]-2-methoxy-2a,3,4,4a,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-6-one
SpectraBase Compound ID FAOEPlSlLCq
InChI InChI=1S/C28H38O6S/c1-17(2)7-6-8-19(4)15-21(35(30,31)20-11-9-18(3)10-12-20)16-24-22-13-14-23-25(22)28(33-26(24)29)34-27(23)32-5/h7,9-12,15,21-25,27-28H,6,8,13-14,16H2,1-5H3/b19-15+/t21?,22-,23-,24?,25+,27-,28-/m1/s1
InChIKey PCEICFXGACMEIO-MEVZFMSWSA-N
Mol Weight 502.7 g/mol
Molecular Formula C28H38O6S
Exact Mass 502.23891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXdAeKWNWpW
Name (2R,2aR,4aS,7aS,7bS)-5-[(3E)-4,8-Dimethyl-2-(4-methylphenyl)sulfonyl-3,7-nonadienyl]-2-methoxy-2a,3,4,4a,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O6S
InChI InChI=1S/C28H38O6S/c1-17(2)7-6-8-19(4)15-21(35(30,31)20-11-9-18(3)10-12-20)16-24-22-13-14-23-25(22)28(33-26(24)29)34-27(23)32-5/h7,9-12,15,21-25,27-28H,6,8,13-14,16H2,1-5H3/b19-15+/t21?,22-,23-,24?,25+,27-,28-/m1/s1
InChIKey PCEICFXGACMEIO-MEVZFMSWSA-N
Molecular Weight 502.666 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(CC1C(O[C@]2([C@]3([C@@]1(CC[C@]3([C@](OC)(O2)[H])[H])[H])[H])[H])=O)\C=C\(CCC=C(C)C)C
SPLASH splash10-014j-9255000000-2cb1f2e9e44318028c0e
Source of Spectrum F-49-10571-22
Synonyms (2R,2aR,4aS,7aS,7bS)-5-{(3E)-4,8-dimethyl-2-[(4-methylphenyl)sulfonyl]-3,7-nonadienyl}-2-methoxyoctahydro-6H-1,7-dioxacyclopenta[cd]inden-6-one (2S,2aR,4aS,7aS,7bS)-5-[(3E)-4,8-Dimethyl-2-(4-methylphenyl)sulfonyl-3,7-nonadienyl]-2-methoxy-2a,3,4,4a,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-6-one
Wiley ID 788962