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(1S,2S,5S,10S,11R,12E,14S,15R,16S)-10,11-dimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one

View entire compound with spectra: 1 MS (GC)

(1S,2S,5S,10S,11R,12E,14S,15R,16S)-10,11-dimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
SpectraBase Compound ID 8i8AlYQXv4V
InChI InChI=1S/C28H42O5/c1-19-15-17-23-21(3)28(29)33-24(22-11-7-6-8-12-22)13-9-10-14-25(30-4)26(31-5)18-16-20(2)27(19)32-23/h6-8,11-12,16,18-21,23-27H,9-10,13-15,17H2,1-5H3/b18-16+/t19-,20-,21-,23-,24-,25-,26+,27+/m0/s1
InChIKey GHCCRPLUKMXOGV-QEOIYBBZSA-N
Mol Weight 458.6 g/mol
Molecular Formula C28H42O5
Exact Mass 458.303224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ki2EuZnipan
Name (1S,2S,5S,10S,11R,12E,14S,15R,16S)-10,11-dimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O5
InChI InChI=1S/C28H42O5/c1-19-15-17-23-21(3)28(29)33-24(22-11-7-6-8-12-22)13-9-10-14-25(30-4)26(31-5)18-16-20(2)27(19)32-23/h6-8,11-12,16,18-21,23-27H,9-10,13-15,17H2,1-5H3/b18-16+/t19-,20-,21-,23-,24-,25-,26+,27+/m0/s1
InChIKey GHCCRPLUKMXOGV-QEOIYBBZSA-N
Molecular Weight 458.639 g/mol
SMILES C1(O[C@](c2ccccc2)(CCCC[C@](OC)([C@@](\C=C\[C@@]([C@@]2(O[C@]([C@@]1(C)[H])(CC[C@@]2(C)[H])[H])[H])(C)[H])(OC)[H])[H])[H])=O
SPLASH splash10-05fr-9410100000-5815f73d066cf1a41b09
Source of Spectrum U-1997-252-27
Wiley ID 769339