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

View entire compound with spectra: 1 MS (GC)

(1R,2S,3E,5R,6S,11S,14S,15R,16R,18S)-16-hydroxy-5,6-dimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
SpectraBase Compound ID 5mvUFunhKMG
InChI InChI=1S/C28H42O6/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/h6-8,11-12,15-16,18-20,22-27,29H,9-10,13-14,17H2,1-5H3/b16-15+/t18-,19-,20-,22+,23-,24-,25+,26-,27+/m0/s1
InChIKey OPTGUOLMZFVGJO-DWQHGVBCSA-N
Mol Weight 474.6 g/mol
Molecular Formula C28H42O6
Exact Mass 474.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1lKXFebeNM
Name (1R,2S,3E,5R,6S,11S,14S,15R,16R,18S)-16-hydroxy-5,6-dimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O6
InChI InChI=1S/C28H42O6/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/h6-8,11-12,15-16,18-20,22-27,29H,9-10,13-14,17H2,1-5H3/b16-15+/t18-,19-,20-,22+,23-,24-,25+,26-,27+/m0/s1
InChIKey OPTGUOLMZFVGJO-DWQHGVBCSA-N
Molecular Weight 474.638 g/mol
SMILES O[C@]1([C@@]2(O[C@@]([C@](\C=C\[C@]([C@](CCCC[C@](OC([C@]2(C)[H])=O)(c2ccccc2)[H])(OC)[H])(OC)[H])(C)[H])([C@](C1)(C)[H])[H])[H])[H]
SPLASH splash10-05tu-2920400000-c3bac65a7c0f7fbb9ca2
Source of Spectrum U-1997-251-23
Synonyms (1R,2S,3E,5R,6S,11S,14S,15R,16R,18S)-5,6-dimethoxy-2,14,18-trimethyl-16-oxidanyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
Wiley ID 769344