(2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[[(4S)-4-Prop-1-En-2-Yl-1-Cyclohexenyl]Methoxy]Oxane-3,4,5-Triol
[CAS# 141206-20-4]

Identification

• Name: (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[[(4S)-4-Prop-1-En-2-Yl-1-Cyclohexenyl]Methoxy]Oxane-3,4,5-Triol
• Synonyms: (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[[(4S)-4-Isopropenyl-1-Cyclohexenyl]Methoxy]Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[[(4S)-4-Isopropenyl-1-Cyclohexenyl]Methoxy]-6-Methylol-Tetrahydropyran-3,4,5-Triol; Perilloside A
• Molecular Formula: C₁₆H₂₆O₆
• Molecular Weight: 314.38
• CAS Registry Number: 141206-20-4
• SMILES: [C@H]1([C@H]([C@@H]([C@@H](CO)O[C@H]1OCC2=CC[C@@H](C(=C)C)CC2)O)O)O
• InChI: 1S/C16H26O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h3,11-20H,1,4-8H2,2H3/t11-,12-,13-,14+,15-,16-/m1/s1
• InChIKey: YUTAFQVKXLDYFG-YTQIUSBHSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 494.774°C at 760 mmHg (Cal.)
• Flash point: 253.03°C (Cal.)