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acetic acid [(2R,3R,4S,5R,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-[(2E)-6-hydroxy-2,6-dimethyl-octa-2,7-dienoxy]tetrahydropyran-4-yl] ester
SpectraBase Compound ID 3MS9J5ju4YX
InChI InChI=1S/C24H36O11/c1-8-24(7,29)11-9-10-14(2)12-31-23-22(34-18(6)28)21(33-17(5)27)20(32-16(4)26)19(35-23)13-30-15(3)25/h8,10,19-23,29H,1,9,11-13H2,2-7H3/b14-10+/t19-,20-,21+,22-,23-,24?/m1/s1
InChIKey DYBLOTHNULGHDA-UWMXYHCBSA-N
Mol Weight 500.5 g/mol
Molecular Formula C24H36O11
Exact Mass 500.225762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xrd7uUvLvK
Name [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2E)-6-hydroxy-2,6-dimethyl-octa-2,7-dienoxy]tetrahydropyran-2-yl]methyl acetate
CAS Registry Number 64776-97-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O11
InChI InChI=1S/C24H36O11/c1-8-24(7,29)11-9-10-14(2)12-31-23-22(34-18(6)28)21(33-17(5)27)20(32-16(4)26)19(35-23)13-30-15(3)25/h8,10,19-23,29H,1,9,11-13H2,2-7H3/b14-10+/t19-,20-,21+,22-,23-,24?/m1/s1
InChIKey DYBLOTHNULGHDA-UWMXYHCBSA-N
Molecular Weight 500.541 g/mol
SMILES OC(C=C)(CC\C=C\(CO[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])C)C
SPLASH splash10-066r-0900000000-ad0762c7779b1d078a66
Source of Spectrum K-110-3115-0
Synonyms [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2E)-2,6-dimethyl-6-oxidanyl-octa-2,7-dienoxy]oxan-2-yl]methyl ethanoate [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]oxan-2-yl]methyl acetate Acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-2-oxanyl]methyl ester
Wiley ID 1398819