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(1R,2S,3E,5R,6S,11S,14S,15R,16R,18S)-15-hydroxy-5,6,16-trimethoxy-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)-15-hydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
SpectraBase Compound ID 4Fdkm08T9ZY
InChI InChI=1S/C29H44O7/c1-19-16-17-25(33-5)24(32-4)15-11-10-14-23(22-12-8-7-9-13-22)35-28(30)21(3)29(31)26(34-6)18-20(2)27(19)36-29/h7-9,12-13,16-17,19-21,23-27,31H,10-11,14-15,18H2,1-6H3/b17-16+/t19-,20-,21+,23-,24-,25+,26+,27-,29+/m0/s1
InChIKey YWIXUEZRODRCSO-MZIHVBJBSA-N
Mol Weight 504.7 g/mol
Molecular Formula C29H44O7
Exact Mass 504.308704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1hrkuTbVhO
Name (1R,2S,3E,5R,6S,11S,14S,15R,16R,18S)-15-hydroxy-5,6,16-trimethoxy-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 C29H44O7
InChI InChI=1S/C29H44O7/c1-19-16-17-25(33-5)24(32-4)15-11-10-14-23(22-12-8-7-9-13-22)35-28(30)21(3)29(31)26(34-6)18-20(2)27(19)36-29/h7-9,12-13,16-17,19-21,23-27,31H,10-11,14-15,18H2,1-6H3/b17-16+/t19-,20-,21+,23-,24-,25+,26+,27-,29+/m0/s1
InChIKey YWIXUEZRODRCSO-MZIHVBJBSA-N
Molecular Weight 504.664 g/mol
SMILES O[C@]12O[C@]([C@](\C=C\[C@]([C@@](OC)(CCCC[C@](OC([C@]2(C)[H])=O)(c2ccccc2)[H])[H])(OC)[H])(C)[H])([H])[C@](C[C@]1(OC)[H])(C)[H]
SPLASH splash10-0abd-4910200000-0401ed4ab86d115c0a30
Source of Spectrum U-1997-251-21
Synonyms (1R,2S,3E,5R,6S,11S,14S,15R,16R,18S)-5,6,16-trimethoxy-2,14,18-trimethyl-15-oxidanyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
Wiley ID 769346