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1,7,11-cyclotetradecatriene-1-methanol, 3-hydroxy-7,11-dimethyl-4-(1-methylethenyl)-, .alpha.-benzoate, (1Z,3R*,4R*,7E,11E)-(+-)-

View entire compound with spectra: 1 MS (GC)

1,7,11-cyclotetradecatriene-1-methanol, 3-hydroxy-7,11-dimethyl-4-(1-methylethenyl)-, .alpha.-benzoate, (1Z,3R*,4R*,7E,11E)-(+-)-
SpectraBase Compound ID 75pwJ4xaPf2
InChI InChI=1S/C27H36O3/c1-20(2)25-17-16-22(4)11-8-10-21(3)12-9-13-23(18-26(25)28)19-30-27(29)24-14-6-5-7-15-24/h5-7,11-12,14-15,18,25-26,28H,1,8-10,13,16-17,19H2,2-4H3/b21-12-,22-11-,23-18+/t25-,26-/m1/s1
InChIKey IJVPTYBFUBVWKN-SUNQRFIDSA-N
Mol Weight 408.6 g/mol
Molecular Formula C27H36O3
Exact Mass 408.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaxC5rNF4Rm
Name 1,7,11-cyclotetradecatriene-1-methanol, 3-hydroxy-7,11-dimethyl-4-(1-methylethenyl)-, .alpha.-benzoate, (1Z,3R*,4R*,7E,11E)-(+-)-
Alternate Name(s) [(3R,4R)-3-hydroxy-4-isopropenyl-7,11-dimethyl-1,7,11-cyclotetradecatrien-1-yl]methyl benzoate
CAS Registry Number 107171-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O3
InChI InChI=1S/C27H36O3/c1-20(2)25-17-16-22(4)11-8-10-21(3)12-9-13-23(18-26(25)28)19-30-27(29)24-14-6-5-7-15-24/h5-7,11-12,14-15,18,25-26,28H,1,8-10,13,16-17,19H2,2-4H3/b21-12-,22-11-,23-18+/t25-,26-/m1/s1
InChIKey IJVPTYBFUBVWKN-SUNQRFIDSA-N
Molecular Weight 408.582 g/mol
SMILES O[C@@]1(\C=C\(COC(=O)c2ccccc2)CC\C=C/(CC\C=C/(CC[C@@]1(C(=C)C)[H])C)C)[H]
SPLASH splash10-059i-0900000000-e1a5f3e1c2eb35f78bcf
Source of Spectrum J-52-1808-30
Wiley ID 1373153