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(3Z,5R,6S,7R,9S,10E,12R,13S,18S)-4,6,8-trihydroxy-5,12,13-trimethoxy-3,7,9-trimethyl-18-phenyl-1-oxacyclooctadeca-3,10-dien-2-one

View entire compound with spectra: 1 MS (GC)

(3Z,5R,6S,7R,9S,10E,12R,13S,18S)-4,6,8-trihydroxy-5,12,13-trimethoxy-3,7,9-trimethyl-18-phenyl-1-oxacyclooctadeca-3,10-dien-2-one
SpectraBase Compound ID 13QKsBHu36r
InChI InChI=1S/C29H44O8/c1-18-16-17-24(35-5)23(34-4)15-11-10-14-22(21-12-8-7-9-13-21)37-29(33)20(3)27(32)28(36-6)26(31)19(2)25(18)30/h7-9,12-13,16-19,22-26,28,30-32H,10-11,14-15H2,1-6H3/b17-16+,27-20-/t18-,19+,22-,23-,24+,25?,26-,28+/m0/s1
InChIKey FFLUEGLBLXLKOC-XRDGMINISA-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 2OSlHFDmT1P
Name (3Z,5R,6S,7R,9S,10E,12R,13S,18S)-4,6,8-trihydroxy-5,12,13-trimethoxy-3,7,9-trimethyl-18-phenyl-1-oxacyclooctadeca-3,10-dien-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O8
InChI InChI=1S/C29H44O8/c1-18-16-17-24(35-5)23(34-4)15-11-10-14-22(21-12-8-7-9-13-21)37-29(33)20(3)27(32)28(36-6)26(31)19(2)25(18)30/h7-9,12-13,16-19,22-26,28,30-32H,10-11,14-15H2,1-6H3/b17-16+,27-20-/t18-,19+,22-,23-,24+,25?,26-,28+/m0/s1
InChIKey FFLUEGLBLXLKOC-XRDGMINISA-N
Molecular Weight 520.663 g/mol
SMILES OC1[C@]([C@@]([C@](\C(=C\(C(O[C@@](CCCC[C@@]([C@@](\C=C\[C@@]1(C)[H])(OC)[H])(OC)[H])(c1ccccc1)[H])=O)C)O)(OC)[H])(O)[H])(C)[H]
SPLASH splash10-05dj-0950220000-ff4fb5312fdf31208f06
Source of Spectrum J-60-957-6
Wiley ID 1401974