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(1R,2S,3E,5R,6S,11S,14S,15R,18S)-5,6-dimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-ene-13,16-dione

View entire compound with spectra: 1 MS (GC)

(1R,2S,3E,5R,6S,11S,14S,15R,18S)-5,6-dimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-ene-13,16-dione
SpectraBase Compound ID GJfJEbYgwBm
InChI InChI=1S/C28H40O6/c1-18-15-16-25(32-5)24(31-4)14-10-9-13-23(21-11-7-6-8-12-21)33-28(30)20(3)27-22(29)17-19(2)26(18)34-27/h6-8,11-12,15-16,18-20,23-27H,9-10,13-14,17H2,1-5H3/b16-15+/t18-,19-,20-,23-,24-,25+,26-,27+/m0/s1
InChIKey MCEFQAVKNXVRBW-IGQUNLLUSA-N
Mol Weight 472.6 g/mol
Molecular Formula C28H40O6
Exact Mass 472.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aWXxSzTOAx
Name (1R,2S,3E,5R,6S,11S,14S,15R,18S)-5,6-dimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-ene-13,16-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O6
InChI InChI=1S/C28H40O6/c1-18-15-16-25(32-5)24(31-4)14-10-9-13-23(21-11-7-6-8-12-21)33-28(30)20(3)27-22(29)17-19(2)26(18)34-27/h6-8,11-12,15-16,18-20,23-27H,9-10,13-14,17H2,1-5H3/b16-15+/t18-,19-,20-,23-,24-,25+,26-,27+/m0/s1
InChIKey MCEFQAVKNXVRBW-IGQUNLLUSA-N
Molecular Weight 472.622 g/mol
SMILES C1([C@]([C@]2(O[C@@]([C@](\C=C\[C@]([C@](CCCC[C@](O1)(c1ccccc1)[H])(OC)[H])(OC)[H])(C)[H])([C@](CC2=O)(C)[H])[H])[H])(C)[H])=O
SPLASH splash10-0a4r-4910000000-fc702eb4070bff4021d9
Source of Spectrum U-1997-251-22
Synonyms (1R,2S,3E,5R,6S,11S,14S,15R,18S)-5,6-dimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-ene-13,16-quinone
Wiley ID 769345