(1S,2S,6S)-9-(Hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3-Oxabicyclo[4.3.0]Nona-4,8-Diene-5-Carboxylic Acid
[CAS# 27932-72-5]

Identification

• Name: (1S,2S,6S)-9-(Hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3-Oxabicyclo[4.3.0]Nona-4,8-Diene-5-Carboxylic Acid
• Synonyms: (1S,4As,7As)-7-(Hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[D]Pyran-4-Carboxylic Acid; (1S,4As,7As)-7-(Hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,4A,5,7A-Tetrahydrocyclopenta[D]Pyran-4-Carboxylic Acid; (1S,4As,7As)-7-Methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[D]Pyran-4-Carboxylic Acid
• Molecular Formula: C₁₆H₂₂O₁₀
• Molecular Weight: 374.34
• CAS Registry Number: 27932-72-5
• 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=C3CO
• InChI: 1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
• InChIKey: ZJDOESGVOWAULF-OGJQONSISA-N

Properties

• Density: 1.649g/cm³ (Cal.)
• Boiling point: 684.115°C at 760 mmHg (Cal.)
• Flash point: 250.905°C (Cal.)