(2S,3R,4S,5S,6R)-2-[(6E)-2,10-Dihydroxy-2,6,10-Trimethyldodeca-6,11-Dien-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 108906-50-9]

Identification

• Name: (2S,3R,4S,5S,6R)-2-[(6E)-2,10-Dihydroxy-2,6,10-Trimethyldodeca-6,11-Dien-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (2S,3R,4S,5S,6R)-2-[(4E)-8-Hydroxy-1-(1-Hydroxy-1-Methyl-Ethyl)-4,8-Dimethyl-Deca-4,9-Dienoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[(4E)-8-Hydroxy-1-(1-Hydroxy-1-Methylethyl)-4,8-Dimethyldeca-4,9-Dienoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[(4E)-8-Hydroxy-1-(1-Hydroxy-1-Methyl-Ethyl)-4,8-Dimethyl-Deca-4,9-Dienoxy]-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₁H₃₈O₈
• Molecular Weight: 418.53
• CAS Registry Number: 108906-50-9
• SMILES: [C@H]1(OC(CC\C(=C\CCC(C=C)(C)O)C)C(C)(C)O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO
• InChI: 1S/C21H38O8/c1-6-21(5,27)11-7-8-13(2)9-10-15(20(3,4)26)29-19-18(25)17(24)16(23)14(12-22)28-19/h6,8,14-19,22-27H,1,7,9-12H2,2-5H3/b13-8+/t14-,15?,16-,17+,18-,19+,21?/m1/s1
• InChIKey: PFJDJYAPRBPXLV-LSLVLPQDSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 625.348°C at 760 mmHg (Cal.)
• Flash point: 331.999°C (Cal.)