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(2S,3S,4aR,5R,8aR)-5-hydroxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2S,3S,4aR,5R,8aR)-5-hydroxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-carboxylic acid methyl ester
SpectraBase Compound ID K3BOScRyfY3
InChI InChI=1S/C14H22O7/c1-13(18-4)14(2,19-5)21-11-9(15)6-8(12(16)17-3)7-10(11)20-13/h6,9-11,15H,7H2,1-5H3/t9-,10-,11-,13+,14+/m1/s1
InChIKey QEKVKHCYCSPTAJ-AFCCXKIYSA-N
Mol Weight 302.32 g/mol
Molecular Formula C14H22O7
Exact Mass 302.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaaiVPQlS4Q
Name (2S,3S,4aR,5R,8aR)-5-hydroxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-carboxylic acid methyl ester
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Formula C14H22O7
InChI InChI=1S/C14H22O7/c1-13(18-4)14(2,19-5)21-11-9(15)6-8(12(16)17-3)7-10(11)20-13/h6,9-11,15H,7H2,1-5H3/t9-,10-,11-,13+,14+/m1/s1
InChIKey QEKVKHCYCSPTAJ-AFCCXKIYSA-N
Molecular Weight 302.323 g/mol
SMILES O[C@@]1(C=C(C(=O)OC)C[C@]2(O[C@@]([C@](O[C@]12[H])(OC)C)(OC)C)[H])[H]
SPLASH splash10-0ufr-4921000000-bc2aa92cf73471b9962a
Source of Spectrum F-55-8450-7
Synonyms Methyl (2S,3S,4aR,5R,8aR)-2,3-dimethoxy-2,3-dimethyl-5-oxidanyl-4a,5,8,8a-tetrahydro-1,4-benzodioxine-7-carboxylate Methyl (2S,3S,4aR,5R,8aR)-5-hydroxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxine-7-carboxylate
Wiley ID 838564