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5,9-Tetradecadiene-2,13-diol, 5,10-dimethyl-, monobenzoate, [S-[R*,R*-(E,E)]]-
SpectraBase Compound ID 988XOrFt4aN
InChI InChI=1S/C23H34O3/c1-18(14-16-20(3)24)10-8-9-11-19(2)15-17-21(4)26-23(25)22-12-6-5-7-13-22/h5-7,10-13,20-21,24H,8-9,14-17H2,1-4H3/b18-10+,19-11+/t20-,21-/m0/s1
InChIKey CQOKCNZCYXKGGW-VWDLUSOTSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9qjmR795Ra
Name 5,9-Tetradecadiene-2,13-diol, 5,10-dimethyl-, monobenzoate, [S-[R*,R*-(E,E)]]-
Alternate Name(s) (1S,4E,8E,12S)-12-hydroxy-1,4,9-trimethyl-4,8-tridecadienyl benzoate (2S,5E,9E,13S)-13-(benzoyloxy)-5,10-dimethyltetradeca-5,9-dien-2-ol
CAS Registry Number 116216-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-18(14-16-20(3)24)10-8-9-11-19(2)15-17-21(4)26-23(25)22-12-6-5-7-13-22/h5-7,10-13,20-21,24H,8-9,14-17H2,1-4H3/b18-10+,19-11+/t20-,21-/m0/s1
InChIKey CQOKCNZCYXKGGW-VWDLUSOTSA-N
Molecular Weight 358.522 g/mol
SMILES O[C@](CC\C(=C\CC\C=C\(CC[C@@](OC(=O)c1ccccc1)(C)[H])C)C)(C)[H]
SPLASH splash10-0a4i-0900000000-224bc617909f9bd78146
Source of Spectrum J-55-5096-14
Wiley ID 1347421