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(1S,2S,3E,5R,6S,11S,14S,15R,16R,17S,18S)-15,17-dihydroxy-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: 2 MS (GC)

(1S,2S,3E,5R,6S,11S,14S,15R,16R,17S,18S)-15,17-dihydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
SpectraBase Compound ID L8EhUk44jiY
InChI InChI=1S/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29+/m0/s1
InChIKey WPMGNXPRKGXGBO-OFQQMTDKSA-N
Mol Weight 520.7 g/mol
Molecular Formula C29H44O8
Exact Mass 520.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gu5oUE7iBMa
Name (1S,2S,3E,5R,6S,11S,14S,15R,16R,17S,18S)-15,17-dihydroxy-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 C29H44O8
InChI InChI=1S/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29+/m0/s1
InChIKey WPMGNXPRKGXGBO-OFQQMTDKSA-N
Molecular Weight 520.663 g/mol
SMILES O[C@@]1([C@]([C@@]2(O[C@]([C@]1(C)[H])([C@](\C=C\[C@]([C@@](OC)(CCCC[C@](OC([C@]2(C)[H])=O)(c1ccccc1)[H])[H])(OC)[H])(C)[H])[H])O)(OC)[H])[H]
SPLASH splash10-0a4i-0910110000-d92143264dc836356265
Source of Spectrum U-1995-810-12
Synonyms (1S,2S,3E,5R,6S,11S,14S,15R,16R,17S,18S)-5,6,16-trimethoxy-2,14,18-trimethyl-15,17-bis(oxidanyl)-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
Wiley ID 766753