(1S,3aR)-1,5,6,8,9,14bbeta-Hexahydro-2-Methoxy-4H-Cyclopenta[a][1,3]Dioxolo[4,5-H]Pyrrolo[2,1-b][3]Benzazepine-1alpha,9alpha-Diol
[CAS# 49686-55-7]

Identification

• Name: (1S,3aR)-1,5,6,8,9,14bbeta-Hexahydro-2-Methoxy-4H-Cyclopenta[a][1,3]Dioxolo[4,5-H]Pyrrolo[2,1-b][3]Benzazepine-1alpha,9alpha-Diol
• Synonyms: 11-Hydroxycephalotaxine; 15-Hydroxycephalotaxine; Alkaloid B
• Molecular Formula: C₁₈H₂₁NO₅
• Molecular Weight: 331.37
• CAS Registry Number: 49686-55-7
• SMILES: [C@@]345[C@H](C2=CC1=C(OCO1)C=C2[C@H](CN3CCC4)O)[C@H](O)C(=C5)OC
• InChI: 1S/C18H21NO5/c1-22-15-7-18-3-2-4-19(18)8-12(20)10-5-13-14(24-9-23-13)6-11(10)16(18)17(15)21/h5-7,12,16-17,20-21H,2-4,8-9H2,1H3/t12-,16+,17+,18-/m0/s1
• InChIKey: SZCHXNLVRKQEGO-XKDXWZMYSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 537.716°C at 760 mmHg (Cal.)
• Flash point: 279.001°C (Cal.)