(2R,3S,4S,5R,6R)-2-[3,5-Dihydroxy-4-[(1S,6S)-3-Methyl-6-Prop-1-En-2-Yl-1-Cyclohex-2-Enyl]Phenyl]-2-(Hydroxymethyl)-6-Pentoxyoxane-3,4,5-Triol
[CAS# 126371-03-7]

Identification

• Name: (2R,3S,4S,5R,6R)-2-[3,5-Dihydroxy-4-[(1S,6S)-3-Methyl-6-Prop-1-En-2-Yl-1-Cyclohex-2-Enyl]Phenyl]-2-(Hydroxymethyl)-6-Pentoxyoxane-3,4,5-Triol
• Synonyms: (2R,3S,4S,5R,6R)-2-[3,5-Dihydroxy-4-[(1S,6S)-6-Isopropenyl-3-Methyl-1-Cyclohex-2-Enyl]Phenyl]-2-(Hydroxymethyl)-6-Pentoxy-Tetrahydropyran-3,4,5-Triol; (2R,3S,4S,5R,6R)-2-[3,5-Dihydroxy-4-[(1S,6S)-6-Isopropenyl-3-Methyl-1-Cyclohex-2-Enyl]Phenyl]-2-(Hydroxymethyl)-6-Pentoxytetrahydropyran-3,4,5-Triol; (2R,3S,4S,5R,6R)-6-Amoxy-2-[3,5-Dihydroxy-4-[(1S,6S)-6-Isopropenyl-3-Methyl-1-Cyclohex-2-Enyl]Phenyl]-2-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₇H₄₀O₈
• Molecular Weight: 492.61
• CAS Registry Number: 126371-03-7
• SMILES: [C@@]1(O[C@@H](OCCCCC)[C@H](O)[C@@H](O)[C@@H]1O)(C2=CC(=C(C(=C2)O)[C@@H]3[C@@H](C(=C)C)CCC(=C3)C)O)CO
• InChI: 1S/C27H40O8/c1-5-6-7-10-34-26-24(32)23(31)25(33)27(14-28,35-26)17-12-20(29)22(21(30)13-17)19-11-16(4)8-9-18(19)15(2)3/h11-13,18-19,23-26,28-33H,2,5-10,14H2,1,3-4H3/t18-,19+,23-,24-,25+,26-,27+/m1/s1
• InChIKey: HZZZTVFRFUUOJG-BLXJKEPASA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 690.15°C at 760 mmHg (Cal.)
• Flash point: 371.189°C (Cal.)