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7-Epidenticulatolide
SpectraBase Compound ID KHGA0DvaXKq
InChI InChI=1S/C22H30O6/c1-13-6-9-20(25-16(4)23)22(5)11-10-18(27-28-22)14(2)7-8-17-15(3)21(24)26-19(17)12-13/h7,12,17-20H,3,6,8-11H2,1-2,4-5H3/b13-12+,14-7-/t17-,18-,19-,20+,22+/m0/s1
InChIKey DCNHEHMOEMETOF-KYFHGQTHSA-N
Mol Weight 390.48 g/mol
Molecular Formula C22H30O6
Exact Mass 390.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pkkpg08Oww
Name 7-Epidenticulatolide
Alternate Name(s) (1S,5S,9S,14R,15R)-2,11,15-trimethyl-6-methylene-7-oxo-8,16,17-trioxatricyclo[13.2.2.0(5,9)]nonadeca-2,10-dien-14-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O6
InChI InChI=1S/C22H30O6/c1-13-6-9-20(25-16(4)23)22(5)11-10-18(27-28-22)14(2)7-8-17-15(3)21(24)26-19(17)12-13/h7,12,17-20H,3,6,8-11H2,1-2,4-5H3/b13-12+,14-7-/t17-,18-,19-,20+,22+/m0/s1
InChIKey DCNHEHMOEMETOF-KYFHGQTHSA-N
Molecular Weight 390.476 g/mol
SMILES C1(C([C@@]2(C\C=C/([C@]3(OO[C@]([C@@](CC\C(=C\[C@@]2(O1)[H])C)(OC(=O)C)[H])(C)CC3)[H])C)[H])=C)=O
SPLASH splash10-0006-9200000000-bc530847530355356626
Source of Spectrum AJ-65-1183-2
Wiley ID 771418