Norcassamidine
[CAS# 36150-73-9]

Identification

• Name: Norcassamidine
• Synonyms: Methyl (1S,4Ar,7E,8R)-9-Hydroxy-1,4A,8-Trimethyl-7-[2-(2-Methylaminoethoxy)-2-Oxo-Ethylidene]-3,4,4B,5,6,8,8A,9,10,10A-Decahydro-2H-Phenanthrene-1-Carboxylate; (1S,4Ar,7E,8R)-9-Hydroxy-1,4A,8-Trimethyl-7-[2-(2-Methylaminoethoxy)-2-Oxoethylidene]-3,4,4B,5,6,8,8A,9,10,10A-Decahydro-2H-Phenanthrene-1-Carboxylic Acid Methyl Ester; (1S,4Ar,7E,8R)-9-Hydroxy-7-[2-Keto-2-(2-Methylaminoethoxy)Ethylidene]-1,4A,8-Trimethyl-3,4,4B,5,6,8,8A,9,10,10A-Decahydro-2H-Phenanthrene-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₄H₃₉NO₅
• Molecular Weight: 421.58
• CAS Registry Number: 36150-73-9
• SMILES: [C@]12(C([C@@](C(OC)=O)(CCC1)C)CC(O)C3C2CCC(/[C@@H]3C)=C\C(OCCNC)=O)C
• InChI: 1S/C24H39NO5/c1-15-16(13-20(27)30-12-11-25-4)7-8-17-21(15)18(26)14-19-23(17,2)9-6-10-24(19,3)22(28)29-5/h13,15,17-19,21,25-26H,6-12,14H2,1-5H3/b16-13+/t15-,17?,18?,19?,21?,23+,24-/m0/s1
• InChIKey: COAPCKUZMKOWBC-FPJGLAHASA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 525.447°C at 760 mmHg (Cal.)
• Flash point: 271.581°C (Cal.)