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2,4,6-Heptatrienoic acid, 6-methyl-7-[tetrahydro-3-hydroxy-4-[(2-methoxyethoxy)methoxy]-2,4,5-trimethyl-2-furanyl]-, ethyl ester, [2.alpha.(2E,4E,6E),3.beta.,4.alpha.,5.alpha.]-(.+-.)-
SpectraBase Compound ID FAd3raM5roc
InChI InChI=1S/C21H34O7/c1-7-26-18(22)11-9-8-10-16(2)14-20(4)19(23)21(5,17(3)28-20)27-15-25-13-12-24-6/h8-11,14,17,19,23H,7,12-13,15H2,1-6H3/b10-8+,11-9+,16-14+/t17-,19+,20+,21-/m0/s1
InChIKey APBNIWYKLBTPNW-ZDUYHFJLSA-N
Mol Weight 398.5 g/mol
Molecular Formula C21H34O7
Exact Mass 398.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDIYgnxYERS
Name 2,4,6-Heptatrienoic acid, 6-methyl-7-[tetrahydro-3-hydroxy-4-[(2-methoxyethoxy)methoxy]-2,4,5-trimethyl-2-furanyl]-, ethyl ester, [2.alpha.(2E,4E,6E),3.beta.,4.alpha.,5.alpha.]-(.+-.)-
CAS Registry Number 110510-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O7
InChI InChI=1S/C21H34O7/c1-7-26-18(22)11-9-8-10-16(2)14-20(4)19(23)21(5,17(3)28-20)27-15-25-13-12-24-6/h8-11,14,17,19,23H,7,12-13,15H2,1-6H3/b10-8+,11-9+,16-14+/t17-,19+,20+,21-/m0/s1
InChIKey APBNIWYKLBTPNW-ZDUYHFJLSA-N
Molecular Weight 398.496 g/mol
SMILES O[C@]1([C@](OCOCCOC)(C)[C@@](O[C@@]1(\C=C\(\C=C\C=C\C(=O)OCC)C)C)(C)[H])[H]
SPLASH splash10-000i-9600000000-9e24b2f75c709c513120
Source of Spectrum J-52-5077-38
Synonyms Ethyl (2E,4E,6E)-7-[(2R,3R,4R,5S)-3-hydroxy-4-[(2-methoxyethoxy)methoxy]-2,4,5-trimethyloxolan-2-yl]-6-methylhepta-2,4,6-trienoate
Wiley ID 1368375