3beta-(N,N-Diethylaminoacetyloxy)-14-Hydroxy-5beta-Card-20(22)-Enolide
[CAS# 42716-82-5]

Identification

• Name: 3beta-(N,N-Diethylaminoacetyloxy)-14-Hydroxy-5beta-Card-20(22)-Enolide
• Synonyms: 2-Diethylaminoacetic Acid [(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; 2-Diethylaminoacetic Acid [(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] 2-Diethylaminoethanoate
• Molecular Formula: C₂₉H₄₅NO₅
• Molecular Weight: 487.68
• CAS Registry Number: 42716-82-5
• SMILES: [C@H]13[C@@H]([C@@]2([C@H](CC1)C[C@@H](OC(=O)CN(CC)CC)CC2)C)CC[C@]4([C@]3(O)CC[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C29H45NO5/c1-5-30(6-2)17-26(32)35-21-9-12-27(3)20(16-21)7-8-24-23(27)10-13-28(4)22(11-14-29(24,28)33)19-15-25(31)34-18-19/h15,20-24,33H,5-14,16-18H2,1-4H3/t20-,21+,22-,23+,24-,27+,28-,29+/m1/s1
• InChIKey: IVHDZYUAMFBHFJ-CZKHRBRPSA-N

Properties

• Density: 1.172g/cm³ (Cal.)
• Boiling point: 608.149°C at 760 mmHg (Cal.)
• Flash point: 321.597°C (Cal.)