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(4R,5R)-2-methyl-4-oxidanyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohex-2-en-1-one
SpectraBase Compound ID Gj0tLQPn1Se
InChI InChI=1S/C27H42O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)24(6)18-27(25)29/h10,12,14,16,18,25,27,29H,7-9,11,13,15,17,19H2,1-6H3/b21-12+,22-14+,23-16+/t25-,27+/m1/s1
InChIKey ZYXVLDARKUDRLP-SMBYENEDSA-N
Mol Weight 398.6 g/mol
Molecular Formula C27H42O2
Exact Mass 398.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Bwnz6iPcDQ
Name (4R,5R)-2-methyl-4-oxidanyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohex-2-en-1-one
CAS Registry Number 111074-75-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O2
InChI InChI=1S/C27H42O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)24(6)18-27(25)29/h10,12,14,16,18,25,27,29H,7-9,11,13,15,17,19H2,1-6H3/b21-12+,22-14+,23-16+/t25-,27+/m1/s1
InChIKey ZYXVLDARKUDRLP-SMBYENEDSA-N
Molecular Weight 398.631 g/mol
SMILES O[C@]1(C=C(C(C[C@]1(C\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)[H])=O)C)[H]
SPLASH splash10-01bd-9400000000-bf806fba321f93f16875
Source of Spectrum H-69-1583-0
Synonyms (4R,5R)-4-hydroxy-2-methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-1-cyclohex-2-enone (4R,5R)-4-hydroxy-2-methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohex-2-en-1-one
Wiley ID 1368707