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(1R,3aS,4S,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one

View entire compound with spectra: 1 MS (GC)

(1R,3aS,4S,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
SpectraBase Compound ID kbWuyID9W
InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h7-9,11,17-19,21,24-26,29H,10,12-16H2,1-6H3/b8-7+/t19?,21-,24+,25-,26+,28-/m1/s1
InChIKey LAFDOVHKCATTMZ-DJOFTOJQSA-N
Mol Weight 410.6 g/mol
Molecular Formula C28H42O2
Exact Mass 410.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDIVysWC0ka
Name (1R,3aS,4S,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O2
InChI InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h7-9,11,17-19,21,24-26,29H,10,12-16H2,1-6H3/b8-7+/t19?,21-,24+,25-,26+,28-/m1/s1
InChIKey LAFDOVHKCATTMZ-DJOFTOJQSA-N
Molecular Weight 410.642 g/mol
SMILES Oc1cc(CC[C@]2([C@]3([C@@]([C@](CC3)([C@@](\C=C\C(C(C)C)C)(C)[H])[H])(CCC2=O)C)[H])[H])c(cc1)C
SPLASH splash10-003r-2930100000-61097b397826d531fa0c
Source of Spectrum G4-58-1294-3
Synonyms (1R,3aS,4S,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-4-[2-(2-methyl-5-oxidanyl-phenyl)ethyl]-2,3,3a,4,6,7-hexahydro-1H-inden-5-one (1R,3aS,4S,7aR)-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-1-[(E,1R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
Wiley ID 1605996