(2R,3R,4S,5S,6R)-2-[[4-[(E)-3-Hydroxybut-1-Enyl]-3,5,5-Trimethyl-1-Cyclohex-3-Enyl]Oxy]-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
[CAS# 137606-56-5]

Identification

• Name: (2R,3R,4S,5S,6R)-2-[[4-[(E)-3-Hydroxybut-1-Enyl]-3,5,5-Trimethyl-1-Cyclohex-3-Enyl]Oxy]-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
• Synonyms: (2R,3R,4S,5S,6R)-2-[[4-[(E)-3-Hydroxybut-1-Enyl]-3,5,5-Trimethyl-1-Cyclohex-3-Enyl]Oxy]-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[[4-[(E)-3-Hydroxybut-1-Enyl]-3,5,5-Trimethyl-1-Cyclohex-3-Enyl]Oxy]-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[[4-[(E)-3-Hydroxybut-1-Enyl]-3,5,5-Trimethyl-1-Cyclohex-3-Enyl]Oxy]-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₅H₄₂O₁₂
• Molecular Weight: 534.60
• CAS Registry Number: 137606-56-5
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@@H](O)[C@@H]([C@H](O2)CO)O)O)O)O)OC3CC(=C(/C=C/C(O)C)C(C3)(C)C)C
• InChI: 1S/C25H42O12/c1-11-7-13(8-25(3,4)14(11)6-5-12(2)27)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h5-6,12-13,15-24,26-33H,7-10H2,1-4H3/b6-5+/t12?,13?,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1
• InChIKey: JZJSTNWTRLNQSL-WQPMJQIQSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Boiling point: 756.498°C at 760 mmHg (Cal.)
• Flash point: 411.315°C (Cal.)