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2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-

View entire compound with spectra: 3 MS (GC)

2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
SpectraBase Compound ID DglQbPKLV4G
InChI InChI=1S/C18H30O7/c1-9(6-15(20)23-4)5-13-17(22)16(21)12(8-24-13)7-14-18(25-14)10(2)11(3)19/h6,10-14,16-19,21-22H,5,7-8H2,1-4H3/b9-6+/t10-,11?,12+,13-,14?,16-,17+,18?/m0/s1
InChIKey PQVWJIKVWONFAJ-HUOQCCDPSA-N
Mol Weight 358.43 g/mol
Molecular Formula C18H30O7
Exact Mass 358.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKw7lxwh87c
Name 2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
CAS Registry Number 66262-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O7
InChI InChI=1S/C18H30O7/c1-9(6-15(20)23-4)5-13-17(22)16(21)12(8-24-13)7-14-18(25-14)10(2)11(3)19/h6,10-14,16-19,21-22H,5,7-8H2,1-4H3/b9-6+/t10-,11?,12+,13-,14?,16-,17+,18?/m0/s1
InChIKey PQVWJIKVWONFAJ-HUOQCCDPSA-N
Molecular Weight 358.431 g/mol
SMILES OC([C@@](C1OC1C[C@@]1(CO[C@]([C@]([C@]1(O)[H])(O)[H])(C\C(=C\C(=O)OC)C)[H])[H])(C)[H])C
SPLASH splash10-03fr-0950000000-53bf565b1c7924dc1e42
Source of Spectrum F-43-2172-4
Synonyms 2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl) oxiranyl]methyl]-2H-pyran-2-yl]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3S*(1R*,2R*)]]]- 2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl) oxiranyl]methyl]-2H-pyran-2-yl]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]- Epoxide of desoctylpseudomonic acid C Methyl (13R)-monate Methyl (2E)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]-3-methylbut-2-enoate Methyl ester of 4-(5S-(2S,3S-epoxy-5S-hydroxy-4S-methylhexyl)-3r,4R-dihydroxytetrahydropyran-2S-yl)-3-methylbut-2(E)-enoic acid Methyl monate Methyl monate A
Wiley ID 1346928