Schisantherin A
[CAS# 82042-38-4]

Identification

• Name: Schisantherin A
• Synonyms: Benzo(3,4)Cycloocta(1,2-F)(1,3)Benzodioxole-5,6-Diol, 5,6,7,8-Tetrahydro-6,7-Dimethyl-1,2,3,13-Tetramethoxy-, 5-Benzoate, Stereoisomer; Schizandrer A
• Molecular Formula: C₃₀H₃₂O₉
• Molecular Weight: 536.58
• CAS Registry Number: 82042-38-4
• SMILES: [C@H]3(C4=C(C1=C(C=C2C(=C1OC)OCO2)C[C@@H]([C@]3(O)C)C)C(=C(C(=C4)OC)OC)OC)OC(=O)C5=CC=CC=C5
• InChI: 1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28+,30+/m0/s1
• InChIKey: UFCGDBKFOKKVAC-HYSLPFRTSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 675.636°C at 760 mmHg (Cal.)
• Flash point: 218.946°C (Cal.)