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(1s,2s,3e,7e,11e)-2-hydroxy-17-acetoxycembra-3,7,11,15-tetraene
SpectraBase Compound ID DKaDTbbcT42
InChI InChI=1S/C22H34O3/c1-16-8-6-10-17(2)12-13-21(19(4)15-25-20(5)23)22(24)14-18(3)11-7-9-16/h9-10,14,21-22,24H,4,6-8,11-13,15H2,1-3,5H3/b16-9+,17-10+,18-14+/t21-,22-/m0/s1
InChIKey FAWXMCZHXVBMQB-CMBRCRLWSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuBzioP5Igu
Name (1s,2s,3e,7e,11e)-2-hydroxy-17-acetoxycembra-3,7,11,15-tetraene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-16-8-6-10-17(2)12-13-21(19(4)15-25-20(5)23)22(24)14-18(3)11-7-9-16/h9-10,14,21-22,24H,4,6-8,11-13,15H2,1-3,5H3/b16-9+,17-10+,18-14+/t21-,22-/m0/s1
InChIKey FAWXMCZHXVBMQB-CMBRCRLWSA-N
Ionization Type EI-B
Molecular Weight 346.511 g/mol
SMILES O[C@@]1([C@](C(=C)COC(=O)C)(CC\C(=C\CC\C(=C\CC\C(=C\1)C)C)C)[H])[H]
SPLASH splash10-000x-9600000000-f04af0399f2d3e5890ef
Source of Spectrum SRH-2022-10837-0
Wiley ID 1832446