[(1S)-1,4A,5,7Aalpha-Tetrahydro-4Aalpha,5alpha-Dihydroxy-7-[[[(E)-3-(4-Hydroxyphenyl)-1-Oxo-2-Propenyl]Oxy]Methyl]Cyclopenta[c]Pyran-1alpha-Yl]beta-D-Glucopyranoside
[CAS# 85802-33-1]

Identification

• Name: [(1S)-1,4A,5,7Aalpha-Tetrahydro-4Aalpha,5alpha-Dihydroxy-7-[[[(E)-3-(4-Hydroxyphenyl)-1-Oxo-2-Propenyl]Oxy]Methyl]Cyclopenta[c]Pyran-1alpha-Yl]beta-D-Glucopyranoside
• Molecular Formula: C₂₄H₂₈O₁₁
• Molecular Weight: 492.47
• CAS Registry Number: 85802-33-1
• SMILES: O=C(OC/C2=C/C[C@@H]3/C=C\OC(O[C@H]1O[C@](O)([C@@H](O)[C@H](O)[C@H]1O)CO)[C@H]23)\C=C\c4ccc(O)cc4
• InChI: 1S/C24H28O11/c25-12-24(31)21(30)19(28)20(29)23(35-24)34-22-18-14(9-10-32-22)4-5-15(18)11-33-17(27)8-3-13-1-6-16(26)7-2-13/h1-3,5-10,14,18-23,25-26,28-31H,4,11-12H2/b8-3+/t14-,18+,19-,20-,21+,22?,23+,24+/m1/s1
• InChIKey: PCQZBVXUQJDVPZ-FVDRTXCGSA-N

Properties

• Density: 1.556g/cm³ (Cal.)
• Boiling point: 742.504°C at 760 mmHg (Cal.)
• Flash point: 253.14°C (Cal.)