(1R,2S,6S,9S)-9-Methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3-Oxabicyclo[4.3.0]Non-4-Ene-5-Carboxylic Acid
[CAS# 22487-36-1]

Identification

• Name: (1R,2S,6S,9S)-9-Methyl-2-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3-Oxabicyclo[4.3.0]Non-4-Ene-5-Carboxylic Acid
• Synonyms: (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-Carboxylic Acid; (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; (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
• Molecular Formula: C₁₆H₂₄O₉
• Molecular Weight: 360.36
• CAS Registry Number: 22487-36-1
• SMILES: [C@@H]13[C@@H](C(=CO[C@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C(=O)O)CC[C@@H]3C
• InChI: 1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1
• InChIKey: DSXFHNSGLYXPNG-YDYVGBNJSA-N

Properties

• Density: 1.52g/cm³ (Cal.)
• Boiling point: 597.179°C at 760 mmHg (Cal.)
• Flash point: 217.856°C (Cal.)