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Oxiranemethanol, 3-[9-(acetyloxy)-3,7-dimethyl-3,7-nonadienyl]-2-methyl-, [2S-[2.alpha.,3.beta.(3E,7E)]]-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Oxiranemethanol, 3-[9-(acetyloxy)-3,7-dimethyl-3,7-nonadienyl]-2-methyl-, [2S-[2.alpha.,3.beta.(3E,7E)]]-
SpectraBase Compound ID 3yU8VnG6yeS
InChI InChI=1S/C17H28O4/c1-13(8-9-16-17(4,12-18)21-16)6-5-7-14(2)10-11-20-15(3)19/h6,10,16,18H,5,7-9,11-12H2,1-4H3/b13-6+,14-10+/t16-,17-/m0/s1
InChIKey YJNFRKKGRSTGPV-MMROGUSUSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ag57RVUOg8A
Name Oxiranemethanol, 3-[9-(acetyloxy)-3,7-dimethyl-3,7-nonadienyl]-2-methyl-, [2S-[2.alpha.,3.beta.(3E,7E)]]-
CAS Registry Number 93822-17-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-13(8-9-16-17(4,12-18)21-16)6-5-7-14(2)10-11-20-15(3)19/h6,10,16,18H,5,7-9,11-12H2,1-4H3/b13-6+,14-10+/t16-,17-/m0/s1
InChIKey YJNFRKKGRSTGPV-MMROGUSUSA-N
Molecular Weight 296.407 g/mol
SMILES OC[C@@]1(O[C@]1(CC\C(=C\CC\C(=C\COC(=O)C)C)C)[H])C
SPLASH splash10-000x-9300000000-dff2b32b09a81726a8ac
Source of Spectrum H-67-1544-0
Synonyms (2E,6E)-9-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiranyl]-3,7-dimethyl-2,6-nonadienyl acetate Acetic acid[(2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-methylol-oxiran-2-yl]nona-2,6-dienyl]ester Acetic acid[(2E,6E)-9-[(2S,3S)-3-(hydroxymethyl)-3-methyl-2-oxiranyl]-3,7-dimethylnona-2,6-dienyl]ester [(2E,6E)-9-[(2S,3S)-3-(hydroxymethyl)-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl]acetate [(2E,6E)-9-[(2S,3S)-3-(hydroxymethyl)-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl]ethanoate [(E,E,10S,11S)-10,11-epoxy-12-hydroxy-3,7,11-trimethyl-2,6-dodecadiene-1-yl]ester of acetic acid Acetic acid [(2E,6E)-9-[(2S,3S)-3-(hydroxymethyl)-3-methyl-2-oxiranyl]-3,7-dimethylnona-2,6-dienyl] ester [(2E,6E)-9-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienyl] acetate [(2E,6E)-9-[(2S,3S)-3-(hydroxymethyl)-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl] acetate [(2E,6E)-9-[(2S,3S)-3-(hydroxymethyl)-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl] ethanoate
Wiley ID 1299187