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

View entire compound with spectra: 1 MS (GC)

2H-pyran-2-acetic acid,6-(1-ethyl-4-(1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(hydroxymethyl)-1H-inden-5-yl)-1,3-butadienyl)tetrahydro-.alpha.,5-dimethyl-,methyl ester
SpectraBase Compound ID BhoEJfuysDQ
InChI InChI=1S/C28H44O4/c1-6-20-12-15-24-23(20)14-13-22(25(24)17-29)10-8-9-21(7-2)27-18(3)11-16-26(32-27)19(4)28(30)31-5/h8-10,13-14,18-20,22-27,29H,6-7,11-12,15-17H2,1-5H3/b10-8-,21-9-
InChIKey YOJCVXNCEHNOFO-BWOGORNYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVKQwxfg176
Name 2H-pyran-2-acetic acid,6-(1-ethyl-4-(1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(hydroxymethyl)-1H-inden-5-yl)-1,3-butadienyl)tetrahydro-.alpha.,5-dimethyl-,methyl ester
CAS Registry Number 80109-56-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-6-20-12-15-24-23(20)14-13-22(25(24)17-29)10-8-9-21(7-2)27-18(3)11-16-26(32-27)19(4)28(30)31-5/h8-10,13-14,18-20,22-27,29H,6-7,11-12,15-17H2,1-5H3/b10-8-,21-9-
InChIKey YOJCVXNCEHNOFO-BWOGORNYSA-N
Molecular Weight 444.656 g/mol
SMILES OCC1C2CCC(C2C=CC1\C=C/C=C\(C1OC(C(C(=O)OC)C)CCC1C)CC)CC
SPLASH splash10-0aou-9550200000-6b48637bdb7bb9b29484
Source of Spectrum J-50-1455-41
Synonyms Methyl 2-(6-{(1Z,3Z)-1-ethyl-4-[1-ethyl-4-(hydroxymethyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-1,3-butadienyl}-5-methyltetrahydro-2H-pyran-2-yl)propanoate
Wiley ID 1386141