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(1S,2S,5R)-1-(3-{2-[(1S,2S,5R)-1-Hydroxy-2-isopropyl-5-methylcyclohexyl]ethyl}but-3-enyl)-2-isopropyl-5-methylcyclohexan-1-ol

View entire compound with spectra: 1 MS (GC)

(1S,2S,5R)-1-(3-{2-[(1S,2S,5R)-1-Hydroxy-2-isopropyl-5-methylcyclohexyl]ethyl}but-3-enyl)-2-isopropyl-5-methylcyclohexan-1-ol
SpectraBase Compound ID 9VlrpmpWw97
InChI InChI=1S/C26H48O2/c1-18(2)23-10-8-21(6)16-25(23,27)14-12-20(5)13-15-26(28)17-22(7)9-11-24(26)19(3)4/h18-19,21-24,27-28H,5,8-17H2,1-4,6-7H3/t21-,22-,23+,24+,25+,26+/m1/s1
InChIKey JKTAHHGDVWZCPQ-TXEXXNSLSA-N
Mol Weight 392.7 g/mol
Molecular Formula C26H48O2
Exact Mass 392.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cd2EPb7tVMf
Name (1S,2S,5R)-1-(3-{2-[(1S,2S,5R)-1-Hydroxy-2-isopropyl-5-methylcyclohexyl]ethyl}but-3-enyl)-2-isopropyl-5-methylcyclohexan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H48O2
InChI InChI=1S/C26H48O2/c1-18(2)23-10-8-21(6)16-25(23,27)14-12-20(5)13-15-26(28)17-22(7)9-11-24(26)19(3)4/h18-19,21-24,27-28H,5,8-17H2,1-4,6-7H3/t21-,22-,23+,24+,25+,26+/m1/s1
InChIKey JKTAHHGDVWZCPQ-TXEXXNSLSA-N
Molecular Weight 392.668 g/mol
SMILES O[C@]1(CCC(CC[C@]2([C@@](CC[C@](C2)(C)[H])(C(C)C)[H])O)=C)[C@@](CC[C@](C1)(C)[H])(C(C)C)[H]
SPLASH splash10-0apj-8900000000-3cc5b7ab032a4f37925c
Source of Spectrum F-62-2273-3
Synonyms (1S,2S,5R)-1-(3-{2-[(1S,2S,5R)-1-hydroxy-2-isopropyl-5-methylcyclohexyl]ethyl}-3-butenyl)-2-isopropyl-5-methylcyclohexanol
Wiley ID 1632427