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

View entire compound with spectra: 2 MS (GC)

3-Methyl-2-(phenylmethyl)-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 4pAucVUcYTC
InChI InChI=1S/C25H36O7/c1-14(19(25(29)30-4)11-17-8-6-5-7-9-17)10-20-23(28)22(27)18(13-31-20)12-21-24(32-21)15(2)16(3)26/h5-9,15-16,18,20-24,26-28H,10-13H2,1-4H3/b19-14+
InChIKey IMPYRPQIZXKYNI-XMHGGMMESA-N
Mol Weight 448.6 g/mol
Molecular Formula C25H36O7
Exact Mass 448.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iu97FATtpO1
Name 3-Methyl-2-(phenylmethyl)-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl]oxiranyl]methyl]-2H-pyran-2-yl]-2-butenoic acid methyl ester
CAS Registry Number 96717-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O7
InChI InChI=1S/C25H36O7/c1-14(19(25(29)30-4)11-17-8-6-5-7-9-17)10-20-23(28)22(27)18(13-31-20)12-21-24(32-21)15(2)16(3)26/h5-9,15-16,18,20-24,26-28H,10-13H2,1-4H3/b19-14+
InChIKey IMPYRPQIZXKYNI-XMHGGMMESA-N
Molecular Weight 448.556 g/mol
SMILES OC(C(C1OC1CC1COC(C(C1O)O)C\C(=C\(C(=O)OC)Cc1ccccc1)C)C)C
SPLASH splash10-0006-9100000000-abd43e7d4ebde0eb7a97
Source of Spectrum KC-1985-554-1
Synonyms 3-Methyl-2-(phenylmethyl)-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl]methyl-2H-pyran-2-yl]-2-butenoic acid methyl ester Methyl (2E)-2-benzyl-4-(3,4-dihydroxy-5-{[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}oxan-2-yl)-3-methylbut-2-enoate
Wiley ID 1387184