7',10,11-Trimethoxy-1',2'-Didehydroemetan-6'-Ol Ethanedioate (1:1)
[CAS# 30959-09-2]

Identification

• Name: 7',10,11-Trimethoxy-1',2'-Didehydroemetan-6'-Ol Ethanedioate (1:1)
• Synonyms: psychotrine dihydrogen oxalate
• Molecular Formula: C₃₀H₃₈N₂O₈
• Molecular Weight: 554.63
• CAS Registry Number: 30959-09-2
• SMILES: OC(=O)C(O)=O.Oc4cc5CC\N=C(\C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC)c5cc4OC
• InChI: 1S/C28H36N2O4.C2H2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;3-1(4)2(5)6/h12-15,17,20,24,31H,5-11,16H2,1-4H3;(H,3,4)(H,5,6)/t17-,20-,24-;/m0./s1
• InChIKey: LDPBSCQIEPAWML-TWAIVCOHSA-N

Properties

• Boiling point: 751.3°C at 760 mmHg (Cal.)
• Flash point: 408.2°C (Cal.)