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(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4,4-dimethyl-cyclohexane-1,3-diol

View entire compound with spectra: 2 MS (GC)

(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4,4-dimethyl-cyclohexane-1,3-diol
SpectraBase Compound ID Hz4VWNjHLay
InChI InChI=1S/C28H48O3/c1-19(9-7-15-26(2,3)31)23-13-14-24-20(10-8-16-28(23,24)6)11-12-21-17-22(29)18-25(30)27(21,4)5/h11-12,19,22-25,29-31H,7-10,13-18H2,1-6H3/b20-11+,21-12-/t19-,22-,23-,24+,25+,28-/m1/s1
InChIKey CVVCLIDIYRBAPT-YZKJVGCYSA-N
Mol Weight 432.7 g/mol
Molecular Formula C28H48O3
Exact Mass 432.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KyznFlCkEz
Name (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4,4-dimethyl-cyclohexane-1,3-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O3
InChI InChI=1S/C28H48O3/c1-19(9-7-15-26(2,3)31)23-13-14-24-20(10-8-16-28(23,24)6)11-12-21-17-22(29)18-25(30)27(21,4)5/h11-12,19,22-25,29-31H,7-10,13-18H2,1-6H3/b20-11+,21-12-/t19-,22-,23-,24+,25+,28-/m1/s1
InChIKey CVVCLIDIYRBAPT-YZKJVGCYSA-N
Molecular Weight 432.689 g/mol
SMILES O[C@]1(C[C@@](C\C(C1(C)C)=C/C=C/1[C@]2([C@@]([C@](CC2)([C@@](CCCC(O)(C)C)(C)[H])[H])(CCC1)C)[H])(O)[H])[H]
SPLASH splash10-01q9-0000900000-c06b65fc38f6ee14ef80
Source of Spectrum D1-1995-1064-2
Synonyms (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4,4-dimethylcyclohexane-1,3-diol (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4,4-dimethyl-cyclohexane-1,3-diol
Wiley ID 834644