Galloyl-Oxypaeoniflorin
[CAS# 145898-93-7]

Identification

• Name: Galloyl-Oxypaeoniflorin
• Synonyms: Galloyloxypaeoniflorin; Beta-D-Glucopyranoside, Tetrahydro-5-Hydroxy-5B(((4-Hydroxybenzoyl)Oxy)Methyl)-2-Methyl-2,5-Methano-1H-3,4-Dioxacyclobuta(Cd)Pentalen-1A(2H)-Yl, 6-(3,4,5-Trihydroxybenzoate), (1Ar-(1Aalpha,3Beta,3Aalpha,5Alpha,5Aalpha,5Balpha))-
• Molecular Formula: C₃₀H₃₂O₁₆
• Molecular Weight: 648.57
• CAS Registry Number: 145898-93-7
• SMILES: [C@@]1(OC2(CC1([C@@H](O)[C@@H]2O)C)COC(=O)C3C=C(O)C(O)C(O)C3)(O[C@]46C5=C(OC4)OC=C5C6)COC(=O)C7=C(O)C(=C(O)C=C7)O
• InChI: 1S/C30H32O16/c1-27-8-29(23(38)22(27)37,10-42-24(39)12-4-16(32)20(35)17(33)5-12)46-30(27,45-28-6-13-7-41-26(18(13)28)44-9-28)11-43-25(40)14-2-3-15(31)21(36)19(14)34/h2-4,7,12,17,20,22-23,31-38H,5-6,8-11H2,1H3/t12?,17?,20?,22-,23-,27?,28-,29?,30+/m0/s1
• InChIKey: PRUKRWUTUBERIO-IFPUPTAISA-N

Properties

• Desity: 1.8g/cm³ (Cal.)
• Boiling point: 880.43°C at 760 mmHg (Cal.)
• Flash point: 486.266°C (Cal.)