(1S,2R,3aR,12bS,12cR)-2,3,3a,4,5,7,12b,12c-Octahydro-1H-[1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol
[CAS# 2030-55-9]

Identification

• Name: (1S,2R,3aR,12bS,12cR)-2,3,3a,4,5,7,12b,12c-Octahydro-1H-[1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol
• Synonyms: Zephyranthine
• Molecular Formula: C₁₆H₁₉NO₄
• Molecular Weight: 289.33
• CAS Registry Number: 2030-55-9
• SMILES: [C@H]2(O)C4C1N(CCC1C[C@H]2O)CC5=CC3=C(OCO3)C=C45
• InChI: 1S/C16H19NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8?,11-,14?,15?,16-/m1/s1
• InChIKey: VJILFEGOWCJNIK-DNZXADHWSA-N

Properties

• Density: 1.488g/cm³ (Cal.)
• Boiling point: 460.482°C at 760 mmHg (Cal.)
• Flash point: 232.292°C (Cal.)