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11,16,18,19-Tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carboxylic acid, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, methyl ester, [1S-(1R*,2R*,4R*,10S*,12R*,14S*,15S*)]-
SpectraBase Compound ID KZwFZKaHngD
InChI InChI=1S/C23H26O9/c1-10(2)12-6-14-13(20(25)27-5)8-15(29-14)18-22(4,31-18)9-16-19-23(32-19,21(26)30-16)17(7-12)28-11(3)24/h8,12,16-19H,1,6-7,9H2,2-5H3/t12-,16-,17+,18+,19-,22+,23+/m1/s1
InChIKey QFVLPFJFNHETFU-LAJCOXANSA-N
Mol Weight 446.45 g/mol
Molecular Formula C23H26O9
Exact Mass 446.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2goUC8FTYW7
Name 11,16,18,19-Tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carboxylic acid, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, methyl ester, [1S-(1R*,2R*,4R*,10S*,12R*,14S*,15S*)]-
CAS Registry Number 122535-64-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O9
InChI InChI=1S/C23H26O9/c1-10(2)12-6-14-13(20(25)27-5)8-15(29-14)18-22(4,31-18)9-16-19-23(32-19,21(26)30-16)17(7-12)28-11(3)24/h8,12,16-19H,1,6-7,9H2,2-5H3/t12-,16-,17+,18+,19-,22+,23+/m1/s1
InChIKey QFVLPFJFNHETFU-LAJCOXANSA-N
Molecular Weight 446.452 g/mol
SMILES [C@]123[C@]([C@](C[C@]4([C@@](c5oc(c(c5)C(=O)OC)C[C@](C[C@@]1(OC(=O)C)[H])(C(=C)C)[H])([H])O4)C)([H])OC2=O)([H])O3
SPLASH splash10-07vr-0920000000-40bcf0caa95eeb45ee4e
Source of Spectrum B-42-763-5
Synonyms 1-(1-Methylethenyl)-3,6:7,8-diepoxy-4,13-diacetoxy-8-methyl-10-hydroxy-tetradeca-3,5,11-triene 10,12-lactone 1-(1-Methylethenyl)-3,6:7,8:11,12-triepoxy-4,13-diacetoxy-8-methyl-10-hydroxytetradeca-3,5,diene 10,12-lactone 13.alpha.-acetoxy-11.beta.,12.beta.-epoxypukalide 13.alpha.-acetoxypukalide Methyl (1S,2S,4S,10R,12S,14R,15R)-2-(acetyloxy)-4-isopropenyl-12-methyl-17-oxo-11,16,18,19-tetraoxapentacyclo[12.2.2.1(6,9).0(1,15).0(10,12)]nonadeca-6,8-diene-7-carboxylate
Wiley ID 1386561