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t-Butyl 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]2-butenoic acid ester

View entire compound with spectra: 1 MS (GC)

t-Butyl 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]2-butenoic acid ester
SpectraBase Compound ID J5CRwDj574k
InChI InChI=1S/C21H36O7/c1-11(8-17(23)28-21(4,5)6)7-15-19(25)18(24)14(10-26-15)9-16-20(27-16)12(2)13(3)22/h8,12-16,18-20,22,24-25H,7,9-10H2,1-6H3/b11-8+
InChIKey HODKEBXVUUYPNT-DHZHZOJOSA-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 xIhSVgV7nK
Name t-Butyl 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]2-butenoic acid ester
Alternate Name(s) tert-Butyl (2E)-4-(3,4-dihydroxy-5-{[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}oxan-2-yl)-3-methylbut-2-enoate
CAS Registry Number 96893-94-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O7
InChI InChI=1S/C21H36O7/c1-11(8-17(23)28-21(4,5)6)7-15-19(25)18(24)14(10-26-15)9-16-20(27-16)12(2)13(3)22/h8,12-16,18-20,22,24-25H,7,9-10H2,1-6H3/b11-8+
InChIKey HODKEBXVUUYPNT-DHZHZOJOSA-N
Molecular Weight 400.512 g/mol
SMILES OC(C(C1OC1CC1COC(C(C1O)O)C\C(=C\C(OC(C)(C)C)=O)C)C)C
SPLASH splash10-052f-9100000000-0235a7640bd8cb440cc6
Source of Spectrum KC-1985-545-5
Wiley ID 1369373