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2,4-Pentadienoic acid, 5-[4-(acetyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3-methyl-, ethyl ester, [1S-[1.alpha.,1(2E,4E),2.beta.,4.beta.]]-
SpectraBase Compound ID D0PNW1sXRTx
InChI InChI=1S/C19H30O6/c1-7-24-16(21)10-13(2)8-9-19(23)17(4,5)11-15(25-14(3)20)12-18(19,6)22/h8-10,15,22-23H,7,11-12H2,1-6H3/b9-8+,13-10+/t15-,18-,19+/m1/s1
InChIKey GUYNVLRHQNRDJA-BSYGLDMSSA-N
Mol Weight 354.44 g/mol
Molecular Formula C19H30O6
Exact Mass 354.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrxV5mN9ory
Name 2,4-Pentadienoic acid, 5-[4-(acetyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3-methyl-, ethyl ester, [1S-[1.alpha.,1(2E,4E),2.beta.,4.beta.]]-
CAS Registry Number 96193-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O6
InChI InChI=1S/C19H30O6/c1-7-24-16(21)10-13(2)8-9-19(23)17(4,5)11-15(25-14(3)20)12-18(19,6)22/h8-10,15,22-23H,7,11-12H2,1-6H3/b9-8+,13-10+/t15-,18-,19+/m1/s1
InChIKey GUYNVLRHQNRDJA-BSYGLDMSSA-N
Molecular Weight 354.443 g/mol
SMILES O[C@]1([C@@](C(C[C@](C1)(OC(=O)C)[H])(C)C)(\C=C\C(=C\C(=O)OCC)C)O)C
SPLASH splash10-0006-9020000000-190042756a67659b566f
Source of Spectrum H-67-2053-0
Synonyms Ethyl (2E,4E)-5-[(1S,2R,4R)-4-(acetyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3-methyl-2,4-pentadienoate Ethyl ester of[(3S,5S,6S)-3-acetoxy-5,6-dihydroxy-5,6-dihydro-.beta.-ionylidene]acetic acid
Wiley ID 1344513