(1aS,2R,3aR,4S,10bS,10cR)-1a,3,3a,10c-Tetrahydro-2-methoxy-2H,5H-4,10b-Ethano(1,3)dioxolo(4,5-j)oxireno(a)phenanthridine
[CAS# 79659-60-2]

Identification

• Name: (1aS,2R,3aR,4S,10bS,10cR)-1a,3,3a,10c-Tetrahydro-2-methoxy-2H,5H-4,10b-Ethano(1,3)dioxolo(4,5-j)oxireno(a)phenanthridine
• Synonyms: Augustine; Nci60_038566; 2H,5H-4,10B-Ethano(1,3)Dioxolo(4,5-J)Oxireno(A)Phenanthridine,1A,3,3A,10C-Tetrahydro-2-Methoxy-, (1As,2R,3Ar,4S,10Bs,10Cr)-
• Molecular Formula: C₁₇H₁₉NO₄
• Molecular Weight: 301.34
• CAS Registry Number: 79659-60-2
• SMILES: [C@@]236[C@@H]1[C@@H](O1)[C@@H](C[C@H]2N(CC4=CC5=C(C=C34)OCO5)CC6)OC
• InChI: 1S/C17H19NO4/c1-19-13-6-14-17(16-15(13)22-16)2-3-18(14)7-9-4-11-12(5-10(9)17)21-8-20-11/h4-5,13-16H,2-3,6-8H2,1H3/t13-,14-,15+,16+,17+/m1/s1
• InChIKey: QLRRUWXMMVXORS-NRKLIOEPSA-N

Properties

• Density: 1.441g/cm³ (Cal.)
• Boiling point: 437.977°C at 760 mmHg (Cal.)
• Flash point: 134.932°C (Cal.)