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2,4-Pentadienoic acid, 5-[4-(acetyloxy)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methyl-, ethyl ester, [1R-[1.alpha.(2E,4E),4.beta.,6.alpha.]]-
SpectraBase Compound ID 3kAh1lYFZiW
InChI InChI=1S/C19H28O5/c1-7-22-16(21)10-13(2)8-9-19-17(4,5)11-15(23-14(3)20)12-18(19,6)24-19/h8-10,15H,7,11-12H2,1-6H3/b9-8+,13-10+/t15-,18-,19-/m1/s1
InChIKey HPSWLAZQSBDDJD-DMELMWBWSA-N
Mol Weight 336.43 g/mol
Molecular Formula C19H28O5
Exact Mass 336.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcjpfAofOTH
Name 2,4-Pentadienoic acid, 5-[4-(acetyloxy)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methyl-, ethyl ester, [1R-[1.alpha.(2E,4E),4.beta.,6.alpha.]]-
CAS Registry Number 96140-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O5
InChI InChI=1S/C19H28O5/c1-7-22-16(21)10-13(2)8-9-19-17(4,5)11-15(23-14(3)20)12-18(19,6)24-19/h8-10,15H,7,11-12H2,1-6H3/b9-8+,13-10+/t15-,18-,19-/m1/s1
InChIKey HPSWLAZQSBDDJD-DMELMWBWSA-N
Molecular Weight 336.428 g/mol
SMILES [C@]12([C@](C[C@@](CC2(C)C)(OC(=O)C)[H])(C)O1)\C=C\C(=C\C(=O)OCC)C
SPLASH splash10-006x-9840000000-13980c03a33121ba75d1
Source of Spectrum H-67-2052-0
Synonyms 7-Oxabicyclo[4.1.0]heptane, 2,4-pentadienoic acid deriv. Ethyl (2E,4E)-5-[(1R,4R,6R)-4-(acetyloxy)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methyl-2,4-pentadienoate Ethyl ester of 5-[(1R,2S,4S)-4-acetoxy-1,2-epoxy-2,6,6-trimethylcyclohexyl]-3-methyl-2,4-pentadienoic acid Ethylester of[(3S,5S,6R)-3-acetoxy-5,6-epoxy-5,6-dihydro-.beta.-ionylidene]acetic acid
Wiley ID 1332422