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3-Methyl-2(methylthio)-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl]oxiranyl]methyl]-2H-pyran-2-yl]-2-butenoic acid methyl ester
SpectraBase Compound ID E5xB2AbLsqW
InChI InChI=1S/C19H32O7S/c1-9(18(27-5)19(23)24-4)6-13-16(22)15(21)12(8-25-13)7-14-17(26-14)10(2)11(3)20/h10-17,20-22H,6-8H2,1-5H3/b18-9-
InChIKey HLUHMVMMHFWXJK-NVMNQCDNSA-N
Mol Weight 404.5 g/mol
Molecular Formula C19H32O7S
Exact Mass 404.186875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IywbCpn6fDU
Name 3-Methyl-2(methylthio)-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl]oxiranyl]methyl]-2H-pyran-2-yl]-2-butenoic acid methyl ester
Alternate Name(s) Methyl 3-methyl-2-(methylthio)-4-[tetrahydro-3,4-dihydroxy-5-(3-(2-hydroxy-1-methylpropyl]oxiranyl]methyl]-2H-pyran-2-yl]-2-butenoic acid ester Methyl (2Z)-4-(3,4-dihydroxy-5-{[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}oxan-2-yl)-3-methyl-2-(methylsulfanyl)but-2-enoate
CAS Registry Number 96717-66-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32O7S
InChI InChI=1S/C19H32O7S/c1-9(18(27-5)19(23)24-4)6-13-16(22)15(21)12(8-25-13)7-14-17(26-14)10(2)11(3)20/h10-17,20-22H,6-8H2,1-5H3/b18-9-
InChIKey HLUHMVMMHFWXJK-NVMNQCDNSA-N
Molecular Weight 404.518 g/mol
SMILES OC(C(C1OC1CC1COC(C(C1O)O)C\C(=C\(C(=O)OC)SC)C)C)C
SPLASH splash10-05oy-9210000000-ee61f10c56bb2c5cfe44
Source of Spectrum KC-1985-555-4
Wiley ID 1371133