(1S,4aR,7S,7aR)-4a-Hydroxy-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-5,6,7,7a-Tetrahydro-1H-Cyclopenta[d]Pyran-4-Carbaldehyde
[CAS# 79617-00-8]

Identification

• Name: (1S,4aR,7S,7aR)-4a-Hydroxy-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-5,6,7,7a-Tetrahydro-1H-Cyclopenta[d]Pyran-4-Carbaldehyde
• Synonyms: (1S,4Ar,7S,7Ar)-4A-Hydroxy-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5,6,7,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carbaldehyde; (1S,4Ar,7S,7Ar)-4A-Hydroxy-7-Methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5,6,7,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxaldehyde; (1S,4Ar,7S,7Ar)-4A-Hydroxy-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-5,6,7,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carbaldehyde
• Molecular Formula: C₁₆H₂₄O₉
• Molecular Weight: 360.36
• CAS Registry Number: 79617-00-8
• SMILES: [C@@]23([C@H]([C@H](O[C@H]1[C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC=C2C=O)[C@@H](C)CC3)O
• InChI: 1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10-,11+,12-,13+,14-,15-,16-/m0/s1
• InChIKey: QCCRICPXIMDIGF-UHONDKDASA-N

Properties

• Density: 1.521g/cm³ (Cal.)
• Boiling point: 605.552°C at 760 mmHg (Cal.)
• Flash point: 221.144°C (Cal.)