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Methyl (5S,6S,7R,3E)-7,8-(Isopripylidenedioxy)-5-hydroxy-6-(1-tetrahydropyranyloxy)-3-octenoate
SpectraBase Compound ID CCoB39nHMBf
InChI InChI=1S/C17H28O7/c1-17(2)22-11-13(24-17)16(23-15-9-4-5-10-21-15)12(18)7-6-8-14(19)20-3/h6-7,12-13,15-16,18H,4-5,8-11H2,1-3H3/b7-6+/t12-,13+,15?,16-/m0/s1
InChIKey XLEFUTGCONJKQT-ITSJBKDPSA-N
Mol Weight 344.4 g/mol
Molecular Formula C17H28O7
Exact Mass 344.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxXpKaBVNP1
Name Methyl (5S,6S,7R)-7,8-(Isopripylidenedioxy)-5-hydroxy-6-(1-tetrahydropyranyloxy)octanoate
Alternate Name(s) Methyl (5S,6S,7R)-7,8-(Isopropylidenedioxy)-5-hydroxy-6-(1-tetrahydropyranyloxy)octenoate (E,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-6-(2-oxanyloxy)-3-hexenoic acid methyl ester Methyl (E,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-6-(oxan-2-yloxy)hex-3-enoate Methyl (E,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-6-tetrahydropyran-2-yloxy-hex-3-enoate Methyl (E,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)-5-oxidanyl-hex-3-enoate
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Formula C17H28O7
InChI InChI=1S/C17H28O7/c1-17(2)22-11-13(24-17)16(23-15-9-4-5-10-21-15)12(18)7-6-8-14(19)20-3/h6-7,12-13,15-16,18H,4-5,8-11H2,1-3H3/b7-6+/t12-,13+,15?,16-/m0/s1
InChIKey XLEFUTGCONJKQT-ITSJBKDPSA-N
Molecular Weight 344.404 g/mol
SMILES O[C@]([C@@]([C@@]1(OC(C)(C)OC1)[H])(OC1OCCCC1)[H])(\C=C\CC(=O)OC)[H]
SPLASH splash10-01pa-9150000000-ff6b0231264af842601b
Source of Spectrum J-58-1529-12b
Wiley ID 1339115