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3,7-Cyclodecadiene-1-acetic acid, 5-(benzoyloxy)-4,8-dimethyl-2,10-dioxo-, ethyl ester, [1R-(1R*,3Z,5R*,7E)]-
SpectraBase Compound ID 9fc0NKGZ2SR
InChI InChI=1S/C23H26O6/c1-4-28-22(26)14-18-19(24)12-15(2)10-11-21(16(3)13-20(18)25)29-23(27)17-8-6-5-7-9-17/h5-10,13,18,21H,4,11-12,14H2,1-3H3/b15-10-,16-13-/t18-,21-/m1/s1
InChIKey AAYNDMYRNBKRAG-WIKBLITNSA-N
Mol Weight 398.46 g/mol
Molecular Formula C23H26O6
Exact Mass 398.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpLfmAuVeJ9
Name 3,7-Cyclodecadiene-1-acetic acid, 5-(benzoyloxy)-4,8-dimethyl-2,10-dioxo-, ethyl ester, [1R-(1R*,3Z,5R*,7E)]-
CAS Registry Number 121115-16-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O6
InChI InChI=1S/C23H26O6/c1-4-28-22(26)14-18-19(24)12-15(2)10-11-21(16(3)13-20(18)25)29-23(27)17-8-6-5-7-9-17/h5-10,13,18,21H,4,11-12,14H2,1-3H3/b15-10-,16-13-/t18-,21-/m1/s1
InChIKey AAYNDMYRNBKRAG-WIKBLITNSA-N
Molecular Weight 398.455 g/mol
SMILES [C@]1(C(\C=C/([C@](OC(=O)c2ccccc2)(C\C=C/(CC1=O)C)[H])C)=O)(CC(=O)OCC)[H]
SPLASH splash10-0a4i-0920000000-aee2c65198932aa89d51
Source of Spectrum AJ-61-1210-17
Synonyms (1R,5R)-5-(2-ethoxy-2-oxoethyl)-2,8-dimethyl-4,6-dioxo-2,8-cyclodecadien-1-yl benzoate Ethyl (3R,7R,1(10)e,4Z)-3-benzoyloxy-6,8-dioxo-13-nor-1(10),4-germacradien-12-oate
Wiley ID 1368466