(13aS,14R)-3,6,7-Trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinolin-14-ol
[CAS# 571-70-0]

Identification

• Name: (13aS,14R)-3,6,7-Trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinolin-14-ol
• Synonyms: Nsc100055; Dibenzo(F,H)Pyrrolo(1,2-B)Isoquinolin-14-Ol, 9,11,12,13,13A,14-Hexahydro-3,6,7-Trimethoxy-, (13As-Cis)-; Pergularinine
• Molecular Formula: C₂₃H₂₅NO₄
• Molecular Weight: 379.45
• CAS Registry Number: 571-70-0
• SMILES: [C@H]4(C1=C(C3=C(C2=C1C=CC(=C2)OC)C=C(OC)C(=C3)OC)CN5[C@H]4CCC5)O
• InChI: 1S/C23H25NO4/c1-26-13-6-7-14-15(9-13)16-10-20(27-2)21(28-3)11-17(16)18-12-24-8-4-5-19(24)23(25)22(14)18/h6-7,9-11,19,23,25H,4-5,8,12H2,1-3H3/t19-,23-/m0/s1
• InChIKey: LAWAARLALKUFQQ-CVDCTZTESA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 588.472°C at 760 mmHg (Cal.)
• Flash point: 309.697°C (Cal.)