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5-Heptenoic acid, 7-[3-(3-hydroxy-1-octenyl)bicyclo[3.1.1]hept-2-yl]-, methyl ester, [2.alpha.(Z),3.beta.(1E,3R*)]-(.+-.)-

View entire compound with spectra: 2 MS (GC)

5-Heptenoic acid, 7-[3-(3-hydroxy-1-octenyl)bicyclo[3.1.1]hept-2-yl]-, methyl ester, [2.alpha.(Z),3.beta.(1E,3R*)]-(.+-.)-
SpectraBase Compound ID Jl7iUR8rNmE
InChI InChI=1S/C23H38O3/c1-26-23(25)14-10-6-5-9-13-22-20(16-19-17-21(22)18-19)12-8-4-2-3-7-11-15-24/h5,8-9,12,19-22,24H,2-4,6-7,10-11,13-18H2,1H3/b9-5-,12-8+/t19?,20-,21?,22+/m1/s1
InChIKey XOBGHSKDGVXENY-SHHATWKTSA-N
Mol Weight 362.6 g/mol
Molecular Formula C23H38O3
Exact Mass 362.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oL48hHVOdK
Name 5-Heptenoic acid, 7-[3-(3-hydroxy-1-octenyl)bicyclo[3.1.1]hept-2-yl]-, methyl ester, [2.alpha.(Z),3.beta.(1E,3R*)]-(.+-.)-
Alternate Name(s) 5-Heptenoic acid, 7-[3-(3-hydroxy-1-octenyl)bicyclo[3.1.1]hept-2-yl]-, methyl ester, [2S-[2.alpha.(Z),3.beta.(1E,3S*)]]- 2-(6-Carbomethoxyhex-(2Z)-enyl)-3.beta.-(3.alpha.-hydroxyoct-(1E)-enyl)-bicyclo[3.1.1]heptane 2-(6-Carbomethoxyhex-(2Z)-enyl)-3.beta.-(3.beta.-hydroxyoct-(1E)-enyl)-bicyclo[3.1.1]heptane Cta(2) methyl ester Methyl (5Z)-7-{(2R,3S)-3-[(1E)-8-hydroxy-1-octenyl]bicyclo[3.1.1]hept-2-yl}-5-heptenoate
CAS Registry Number 74034-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O3
InChI InChI=1S/C23H38O3/c1-26-23(25)14-10-6-5-9-13-22-20(16-19-17-21(22)18-19)12-8-4-2-3-7-11-15-24/h5,8-9,12,19-22,24H,2-4,6-7,10-11,13-18H2,1H3/b9-5-,12-8+/t19?,20-,21?,22+/m1/s1
InChIKey XOBGHSKDGVXENY-SHHATWKTSA-N
Molecular Weight 362.554 g/mol
SMILES OCCCCCC\C=C\[C@]1([C@@](C2CC(C2)C1)(C\C=C/CCCC(=O)OC)[H])[H]
SPLASH splash10-014i-4930000000-a693612b45403df687e8
Source of Spectrum C-102-1408-0
Wiley ID 1349979