Cassaidine
[CAS# 26296-41-3]

Identification

• Name: Cassaidine
• Synonyms: (2E)-2-[(1R,4As,4Br,7S,8Ar,10S,10As)-7,10-Dihydroxy-1,4B,8,8-Tetramethyl-3,4,4A,5,6,7,8A,9,10,10A-Decahydro-1H-Phenanthren-2-Ylidene]Acetic Acid 2-Dimethylaminoethyl Ester; 2-Dimethylaminoethyl (2E)-2-[(1R,4As,4Br,7S,8Ar,10S,10As)-7,10-Dihydroxy-1,4B,8,8-Tetramethyl-3,4,4A,5,6,7,8A,9,10,10A-Decahydro-1H-Phenanthren-2-Ylidene]Ethanoate; C08669
• Molecular Formula: C₂₄H₄₁NO₄
• Molecular Weight: 407.59
• CAS Registry Number: 26296-41-3
• SMILES: [C@]12([C@H](C(C)(C)[C@H](CC1)O)C[C@@H]([C@@H]3[C@@H]2CCC(=C/C(=O)OCCN(C)C)\[C@@H]3C)O)C
• InChI: 1S/C24H41NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17-20,22,26-27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,18-,19-,20-,22-,24+/m0/s1
• InChIKey: JKPVSFQJGXEMSU-CHEGSHICSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 518.6±50.0°C at 760 mmHg (Cal.)
• Flash point: 267.4±30.1°C (Cal.)