(2R,3R,4S,5S,6R)-2-[5-[3,5-Dihydroxy-4-(3-Methyl-6-Prop-1-En-2-Yl-1-Cyclohex-2-Enyl)Phenyl]Pentan-2-Yloxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 126420-96-0]

Identification

• Name: (2R,3R,4S,5S,6R)-2-[5-[3,5-Dihydroxy-4-(3-Methyl-6-Prop-1-En-2-Yl-1-Cyclohex-2-Enyl)Phenyl]Pentan-2-Yloxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (2R,3R,4S,5S,6R)-2-[4-[3,5-Dihydroxy-4-(6-Isopropenyl-3-Methyl-1-Cyclohex-2-Enyl)Phenyl]-1-Methyl-Butoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[4-[3,5-Dihydroxy-4-(6-Isopropenyl-3-Methyl-1-Cyclohex-2-Enyl)Phenyl]-1-Methylbutoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[4-[3,5-Dihydroxy-4-(6-Isopropenyl-3-Methyl-1-Cyclohex-2-Enyl)Phenyl]-1-Methyl-Butoxy]-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₇H₄₀O₈
• Molecular Weight: 492.61
• CAS Registry Number: 126420-96-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)OC(CCCC3=CC(=C(C2C(C(=C)C)CCC(=C2)C)C(=C3)O)O)C
• InChI: 1S/C27H40O8/c1-14(2)18-9-8-15(3)10-19(18)23-20(29)11-17(12-21(23)30)7-5-6-16(4)34-27-26(33)25(32)24(31)22(13-28)35-27/h10-12,16,18-19,22,24-33H,1,5-9,13H2,2-4H3/t16?,18?,19?,22-,24-,25+,26-,27-/m1/s1
• InChIKey: OWBLNEPLKCQEFJ-WAIIOJGYSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 712.348°C at 760 mmHg (Cal.)
• Flash point: 384.614°C (Cal.)