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82509-41-9

82509-41-9 Structure

82509-41-9 Structure
IdentificationBack Directory
[Name]

8-EPILOGANIC ACID
[CAS]

82509-41-9
[Synonyms]

8-EPILOGANIC ACID
(1S)-1-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-6α-hydroxy-7β-methylcyclopenta[c]pyran-4-carboxylic acid
(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-6α-hydroxy-7β-methylcyclopenta[c]pyran-4-carboxylic acid
Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, (1S,4aS,6S,7S,7aS)-
[Molecular Formula]

C16H24O10
[MDL Number]

MFCD00238599
[MOL File]

82509-41-9.mol
[Molecular Weight]

376.36
Chemical PropertiesBack Directory
[Melting point ]

138-139 °C
[Boiling point ]

646.3±55.0 °C(Predicted)
[density ]

1.60±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

4.55±0.70(Predicted)
[color ]

White to off-white
[InChIKey]

JNNGEAWILNVFFD-ARIMEKHGNA-N
[SMILES]

O([C@@]1([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)[C@@H]1OC=C(C(=O)O)[C@@]2([H])C[C@H](O)[C@@H](C)[C@@]12[H] |&1:1,3,4,6,8,13,20,23,25,27,r|
Hazard InformationBack Directory
[Uses]

8-Epiloganic acid, an iridoid glucoside, can be found in Linaria cymbalaria (Scrophulariaceae)[1].
[References]

[1] Bianco A, et, al. 8-epiloganic acid and 7-beta-hydroxy-8-epiiridodial glucoside. Planta Med. 1982 Sep;46(1):38-41. DOI:10.1055/s-2007-970014
Spectrum DetailBack Directory
[Spectrum Detail]

8-EPILOGANIC ACID(82509-41-9)1HNMR
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