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(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyl-13-oxidanyl-trideca-1,3,5,7,9,11-hexaenyl]cyclohex-3-en-1-ol
SpectraBase Compound ID 1oMMY2uD6SI
InChI InChI=1S/C25H36O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,23,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t23-/m1/s1
InChIKey XVQDCCGQSOTQBN-HEZGKBSMSA-N
Mol Weight 368.6 g/mol
Molecular Formula C25H36O2
Exact Mass 368.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwuHbdOwOdf
Name (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyl-13-oxidanyl-trideca-1,3,5,7,9,11-hexaenyl]cyclohex-3-en-1-ol
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Formula C25H36O2
InChI InChI=1S/C25H36O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,23,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t23-/m1/s1
InChIKey XVQDCCGQSOTQBN-HEZGKBSMSA-N
Molecular Weight 368.561 g/mol
SMILES O[C@@]1(CC(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(CO)C)C)C)C(C1)(C)C)C)[H]
SPLASH splash10-014i-4209000000-15c14e1b81937223d371
Source of Spectrum SB-48-902-7
Synonyms (1R)-4-[(1E,3E,5E,7E,9E,11E)-13-hydroxy-3,7,12-trimethyl-trideca-1,3,5,7,9,11-hexaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol (1R)-4-[(1E,3E,5E,7E,9E,11E)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaenyl]-3,5,5-trimethyl-1-cyclohex-3-enol
Wiley ID 1353427