Deoxyloganin
[CAS# 26660-57-1]

Identification

• Name: Deoxyloganin
• Synonyms: Methyl (1S,4As,7S,7Ar)-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,4A,5,6,7,7A-Hexahydrocyclopenta[D]Pyran-4-Carboxylate; (1S,4As,7S,7Ar)-7-Methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,4A,5,6,7,7A-Hexahydrocyclopenta[D]Pyran-4-Carboxylic Acid Methyl Ester; (1S,4As,7S,7Ar)-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,4A,5,6,7,7A-Hexahydrocyclopenta[D]Pyran-4-Carboxylic Acid Methyl Ester
• Molecular Formula: C₁₇H₂₆O₉
• Molecular Weight: 374.39
• CAS Registry Number: 26660-57-1
• SMILES: [C@@H]3(O[C@@H]1OC=C([C@@H]2[C@H]1[C@@H](C)CC2)C(OC)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O
• InChI: 1S/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8+,10+,11+,12+,13-,14+,16-,17-/m0/s1
• InChIKey: KMHXLGLJTQHEIM-OUEWTLASSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 563.479°C at 760 mmHg (Cal.)
• Flash point: 201.226°C (Cal.)