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4-{[5-(2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl}-6-(4-methoxyphenyl)-5,6-di-hydro-2-pyrone

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4-{[5-(2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl}-6-(4-methoxyphenyl)-5,6-di-hydro-2-pyrone
SpectraBase Compound ID 7ox6FA3Ssqm
InChI InChI=1S/C25H34O8/c1-13(14(2)26)25-21(33-25)11-17-12-31-20(24(29)23(17)28)9-15-8-19(32-22(27)10-15)16-4-6-18(30-3)7-5-16/h4-7,10,13-14,17,19-21,23-26,28-29H,8-9,11-12H2,1-3H3
InChIKey MQBXZIACVQRIHI-UHFFFAOYSA-N
Mol Weight 462.5 g/mol
Molecular Formula C25H34O8
Exact Mass 462.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VG0l8LEUMU
Name 4-{[5-(2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl}-6-(4-methoxyphenyl)-5,6-di-hydro-2-pyrone
Alternate Name(s) 4-[(3,4-dihydroxy-5-{[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}oxan-2-yl)methyl]-6-(4-methoxyphenyl)-5,6-dihydro-2H-pyran-2-one
CAS Registry Number 96789-41-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O8
InChI InChI=1S/C25H34O8/c1-13(14(2)26)25-21(33-25)11-17-12-31-20(24(29)23(17)28)9-15-8-19(32-22(27)10-15)16-4-6-18(30-3)7-5-16/h4-7,10,13-14,17,19-21,23-26,28-29H,8-9,11-12H2,1-3H3
InChIKey MQBXZIACVQRIHI-UHFFFAOYSA-N
Molecular Weight 462.539 g/mol
SMILES OC(C(C1OC1CC1COC(C(C1O)O)CC1=CC(=O)OC(C1)c1ccc(cc1)OC)C)C
SPLASH splash10-00di-9800000000-93798892a1be324f5500
Source of Spectrum KC-1985-553-5
Wiley ID 1391050