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2H-pyran-2-acetic acid,6-(4-(4-carboxy-1-ethyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl)-1-ethyl-1,3-butadienyl)tetrahydro-.alpha.,5-dimethyl-,methyl ester

View entire compound with spectra: 1 MS (GC)

2H-pyran-2-acetic acid,6-(4-(4-carboxy-1-ethyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl)-1-ethyl-1,3-butadienyl)tetrahydro-.alpha.,5-dimethyl-,methyl ester
SpectraBase Compound ID 9TZMPRekLMf
InChI InChI=1S/C28H42O5/c1-6-19-12-15-23-22(19)14-13-21(25(23)27(29)30)10-8-9-20(7-2)26-17(3)11-16-24(33-26)18(4)28(31)32-5/h8-10,13-14,17-19,21-26H,6-7,11-12,15-16H2,1-5H3,(H,29,30)/b10-8-,20-9-
InChIKey VCRKBSPQXWQOAE-SEOPUDJFSA-N
Mol Weight 458.6 g/mol
Molecular Formula C28H42O5
Exact Mass 458.303224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LctVG85CZr5
Name 2H-pyran-2-acetic acid,6-(4-(4-carboxy-1-ethyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl)-1-ethyl-1,3-butadienyl)tetrahydro-.alpha.,5-dimethyl-,methyl ester
CAS Registry Number 80109-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O5
InChI InChI=1S/C28H42O5/c1-6-19-12-15-23-22(19)14-13-21(25(23)27(29)30)10-8-9-20(7-2)26-17(3)11-16-24(33-26)18(4)28(31)32-5/h8-10,13-14,17-19,21-26H,6-7,11-12,15-16H2,1-5H3,(H,29,30)/b10-8-,20-9-
InChIKey VCRKBSPQXWQOAE-SEOPUDJFSA-N
Molecular Weight 458.639 g/mol
SMILES OC(C1C2C(C=CC1\C=C/C=C\(C1OC(C(C(=O)OC)C)CCC1C)CC)C(CC)CC2)=O
SPLASH splash10-0aor-8790600000-1927ada9b7e9fb8d49f8
Source of Spectrum J-50-1455-42
Synonyms 1-Ethyl-5-{(1Z,3Z)-4-[6-(2-methoxy-1-methyl-2-oxoethyl)-3-methyltetrahydro-2H-pyran-2-yl]-1,3-hexadienyl}-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylic acid
Wiley ID 1389976