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Methyl 3-{[5-(2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxytetrahydropyran-2-yl]methyl}-2-isopropylbut-3-enoate
SpectraBase Compound ID 6MiaGbhUXA0
InChI InChI=1S/C21H36O7/c1-10(2)17(21(25)26-6)11(3)7-15-19(24)18(23)14(9-27-15)8-16-20(28-16)12(4)13(5)22/h10,12-20,22-24H,3,7-9H2,1-2,4-6H3
InChIKey WKIPDIMTUVMISD-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C21H36O7
Exact Mass 400.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DftNhYHGLnQ
Name Methyl 3-{[5-(2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxytetrahydropyran-2-yl]methyl}-2-isopropylbut-3-enoate
CAS Registry Number 96789-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O7
InChI InChI=1S/C21H36O7/c1-10(2)17(21(25)26-6)11(3)7-15-19(24)18(23)14(9-27-15)8-16-20(28-16)12(4)13(5)22/h10,12-20,22-24H,3,7-9H2,1-2,4-6H3
InChIKey WKIPDIMTUVMISD-UHFFFAOYSA-N
Molecular Weight 400.512 g/mol
SMILES OC(C(C1OC1CC1COC(C(C1O)O)CC(C(C(=O)OC)C(C)C)=C)C)C
SPLASH splash10-0005-9100000000-5d3ebf9a3dd7f9bffc74
Source of Spectrum KC-1985-551-3
Synonyms Methyl 3-[(3,4-dihydroxy-5-{[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}oxan-2-yl)methyl]-2-(propan-2-yl)but-3-enoate
Wiley ID 1369374