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(1S,5R)-4,6,6-trimethyl-5-((2-oxo-2H-chromen-7-yloxy)methyl)cyclohex-3-enyl 3-methylbutanoate
SpectraBase Compound ID 2XEeKqPG1bG
InChI InChI=1S/C24H30O5/c1-15(2)12-23(26)29-21-10-6-16(3)19(24(21,4)5)14-27-18-9-7-17-8-11-22(25)28-20(17)13-18/h6-9,11,13,15,19,21H,10,12,14H2,1-5H3/t19-,21+/m1/s1
InChIKey DYJXVOCCWOHHCC-CTNGQTDRSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HShaUVp3Bow
Name (1S,5R)-4,6,6-trimethyl-5-((2-oxo-2H-chromen-7-yloxy)methyl)cyclohex-3-enyl 3-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-15(2)12-23(26)29-21-10-6-16(3)19(24(21,4)5)14-27-18-9-7-17-8-11-22(25)28-20(17)13-18/h6-9,11,13,15,19,21H,10,12,14H2,1-5H3/t19-,21+/m1/s1
InChIKey DYJXVOCCWOHHCC-CTNGQTDRSA-N
Literature Reference DOI 10.1002/cjoc.201500295
Molecular Weight 398.499 g/mol
SMILES C1(C)(C)[C@@](OC(CC(C)C)=O)(CC=C([C@]1(COc1cc2c(C=CC(O2)=O)cc1)[H])C)[H]
SPLASH splash10-000i-3900000000-20949ac2934794433566
Source of Spectrum CJC-33-727-5
Synonyms (1S,5R)-4,6,6-trimethyl-5-(((2-oxo-2H-chromen-7-yl)oxy)methyl)cyclohex-3-en-1-yl 3-methylbutanoate
Wiley ID 1785168