(2S,3R,4S,5S,6R)-2-(3,7-Dimethylocta-1,6-Dien-3-Yloxy)-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
[CAS# 134553-54-1]

Identification

• Name: (2S,3R,4S,5S,6R)-2-(3,7-Dimethylocta-1,6-Dien-3-Yloxy)-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
• Synonyms: (2S,3R,4S,5S,6R)-2-(1,5-Dimethyl-1-Vinyl-Hex-4-Enoxy)-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-(1,5-Dimethyl-1-Vinylhex-4-Enoxy)-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; Beta-D-Glucopyranoside, 1-Ethenyl-1,5-Dimethyl-4-Hexenyl 6-O-Beta-D-Xylopyranosyl-
• Molecular Formula: C₂₁H₃₆O₁₀
• Molecular Weight: 448.51
• CAS Registry Number: 134553-54-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)OC(CCC=C(C)C)(C=C)C
• InChI: 1S/C21H36O10/c1-5-21(4,8-6-7-11(2)3)31-20-18(27)16(25)15(24)13(30-20)10-29-19-17(26)14(23)12(22)9-28-19/h5,7,12-20,22-27H,1,6,8-10H2,2-4H3/t12-,13-,14+,15-,16+,17-,18-,19+,20+,21?/m1/s1
• InChIKey: OKNPZRJNRSGKME-XEGIVNTOSA-N

Properties

• Density: 1.324g/cm³ (Cal.)
• Boiling point: 652.371°C at 760 mmHg (Cal.)
• Flash point: 348.342°C (Cal.)