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(1S,2S,3E,5R,6S,10R,13S,14R,15R,16S,17S)-14,16-dihydroxy-5,6,15-trimethoxy-2,13,17-trimethyl-10-phenyl-11,18-dioxabicyclo[12.3.1]octadec-3-en-12-one

View entire compound with spectra: 1 MS (GC)

(1S,2S,3E,5R,6S,10R,13S,14R,15R,16S,17S)-14,16-dihydroxy-5,6,15-trimethoxy-2,13,17-trimethyl-10-phenyl-11,18-dioxabicyclo[12.3.1]octadec-3-en-12-one
SpectraBase Compound ID B9RCIulNkLo
InChI InChI=1S/C28H42O8/c1-17-15-16-23(33-5)22(32-4)14-10-13-21(20-11-8-7-9-12-20)35-27(30)19(3)28(31)26(34-6)24(29)18(2)25(17)36-28/h7-9,11-12,15-19,21-26,29,31H,10,13-14H2,1-6H3/b16-15+/t17-,18-,19+,21+,22-,23+,24-,25-,26+,28+/m0/s1
InChIKey ZGPRZYFZXBKXKL-DTHWINFCSA-N
Mol Weight 506.6 g/mol
Molecular Formula C28H42O8
Exact Mass 506.287968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29O8XslyZGh
Name (1S,2S,3E,5R,6S,10R,13S,14R,15R,16S,17S)-14,16-dihydroxy-5,6,15-trimethoxy-2,13,17-trimethyl-10-phenyl-11,18-dioxabicyclo[12.3.1]octadec-3-en-12-one
Alternate Name(s) (1S,2S,3E,5R,6S,10R,13S,14R,15R,16S,17S)-5,6,15-trimethoxy-2,13,17-trimethyl-14,16-bis(oxidanyl)-10-phenyl-11,18-dioxabicyclo[12.3.1]octadec-3-en-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O8
InChI InChI=1S/C28H42O8/c1-17-15-16-23(33-5)22(32-4)14-10-13-21(20-11-8-7-9-12-20)35-27(30)19(3)28(31)26(34-6)24(29)18(2)25(17)36-28/h7-9,11-12,15-19,21-26,29,31H,10,13-14H2,1-6H3/b16-15+/t17-,18-,19+,21+,22-,23+,24-,25-,26+,28+/m0/s1
InChIKey ZGPRZYFZXBKXKL-DTHWINFCSA-N
Molecular Weight 506.636 g/mol
SMILES O[C@@]1([C@]([C@@]2(O[C@]([C@]1(C)[H])([C@](\C=C\[C@]([C@@](OC)(CCC[C@@](OC([C@]2(C)[H])=O)(c1ccccc1)[H])[H])(OC)[H])(C)[H])[H])O)(OC)[H])[H]
SPLASH splash10-00xr-8922200000-6e0605c70ee5c07edf5f
Source of Spectrum U-1995-816-30
Wiley ID 766729