(1aS, 2R,3aR,4R,10bS,10cR,11R)-1a,3,3a,10c-Tetrahydro-2,6-dimethoxy-2H,5H-4,10b-Ethano[1,3]dioxolo[4,5-j]oxireno[a] phenanthridin-11-ol
[CAS# 58189-38-1]

Identification

• Name: (1aS, 2R,3aR,4R,10bS,10cR,11R)-1a,3,3a,10c-Tetrahydro-2,6-dimethoxy-2H,5H-4,10b-Ethano[1,3]dioxolo[4,5-j]oxireno[a] phenanthridin-11-ol
• Synonyms: Cavinine
• Molecular Formula: C₁₈H₂₁NO₆
• Molecular Weight: 347.37
• CAS Registry Number: 58189-38-1
• SMILES: [C@]235[C@H]1O[C@H]1[C@H](OC)C[C@H]2N(C[C@@H]3O)CC6=C(OC)C4=C(OCO4)C=C56
• InChI: 1S/C18H21NO6/c1-21-10-4-12-18(17-16(10)25-17)9-3-11-15(24-7-23-11)14(22-2)8(9)5-19(12)6-13(18)20/h3,10,12-13,16-17,20H,4-7H2,1-2H3/t10-,12-,13+,16+,17+,18+/m1/s1
• InChIKey: GKZWOVRDMISXTE-XVOQKHCOSA-N

Properties

• Density: 1.518g/cm³ (Cal.)
• Boiling point: 530.213°C at 760 mmHg (Cal.)
• Flash point: 274.463°C (Cal.)