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Methoxygorgiacerol
SpectraBase Compound ID FstfNs8ozP4
InChI InChI=1S/C22H26O7/c1-10(2)12-7-15-13(21(24)27-6)8-16(28-15)18(11(3)4)17-9-14(22(25)29-17)20(26-5)19(12)23/h8-9,12,17-20,23H,1,3,7H2,2,4-6H3/t12-,17?,18-,19+,20-/m0/s1
InChIKey MFBOHXMPIBDLKA-LQWKNLRLSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJ5eI54ta7D
Name Methoxygorgiacerol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-10(2)12-7-15-13(21(24)27-6)8-16(28-15)18(11(3)4)17-9-14(22(25)29-17)20(26-5)19(12)23/h8-9,12,17-20,23H,1,3,7H2,2,4-6H3/t12-,17?,18-,19+,20-/m0/s1
InChIKey MFBOHXMPIBDLKA-LQWKNLRLSA-N
Molecular Weight 402.443 g/mol
SMILES O[C@@]1([C@@](Cc2c(C(=O)OC)cc([C@@](C3C=C(C(O3)=O)[C@@]1(OC)[H])(C(=C)C)[H])o2)(C(=C)C)[H])[H]
SPLASH splash10-00xv-0749100000-17627c8f7eb0dafe86f0
Source of Spectrum F-47-8685-4
Synonyms Methyl (2R,3R,7S,9S)-8-hydroxy-2,9-diisopropenyl-7-methoxy-5-oxo-4,14-dioxatricyclo[9.2.1.1(3,6)]pentadeca-1(13),6(15),11-triene-12-carboxylate
Wiley ID 1370372