[(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] N-(2-Dimethylaminoethyl)Carbamate
[CAS# 137056-72-5]

Identification

• Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] N-(2-Dimethylaminoethyl)Carbamate
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] N-(2-Dimethylaminoethyl)Carbamate; N-(2-Dimethylaminoethyl)Carbamic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 3-(N-(N',N'-Dimethylaminoethane)Carbamoyl)Cholesterol
• Molecular Formula: C₃₂H₅₆N₂O₂
• Molecular Weight: 500.81
• CAS Registry Number: 137056-72-5
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)NCCN(C)C)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C32H56N2O2/c1-22(2)9-8-10-23(3)27-13-14-28-26-12-11-24-21-25(36-30(35)33-19-20-34(6)7)15-17-31(24,4)29(26)16-18-32(27,28)5/h11,22-23,25-29H,8-10,12-21H2,1-7H3,(H,33,35)/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1
• InChIKey: HIHOWBSBBDRPDW-PTHRTHQKSA-N

Properties

• Density: 1.019g/cm³ (Cal.)
• Boiling point: 578.054°C at 760 mmHg (Cal.)
• Flash point: 303.397°C (Cal.)