[2-[(10R,11S,13S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] 2-Aminoacetate Hydrochloride
[CAS# 128887-42-3]

Identification

• Name: [2-[(10R,11S,13S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] 2-Aminoacetate Hydrochloride
• Synonyms: [2-[(10R,11S,13S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 2-Aminoacetate Hydrochloride; 2-Aminoacetic Acid [2-[(10R,11S,13S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester Hydrochloride; 2-Aminoacetic Acid [2-[(10R,11S,13S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester Hydrochloride
• Molecular Formula: C₂₃H₃₄ClNO₆
• Molecular Weight: 455.98
• CAS Registry Number: 128887-42-3
• SMILES: [C@]34(C(C2C([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C3)CC[C@]4(O)C(=O)COC(=O)CN)C.[H+].[Cl-]
• InChI: 1S/C23H33NO6.ClH/c1-21-7-5-14(25)9-13(21)3-4-15-16-6-8-23(29,18(27)12-30-19(28)11-24)22(16,2)10-17(26)20(15)21;/h9,15-17,20,26,29H,3-8,10-12,24H2,1-2H3;1H/t15?,16?,17-,20?,21-,22-,23-;/m0./s1
• InChIKey: VNWIZXYGJMNNTO-IESFLJJMSA-N

Properties

• Boiling point: 604.5°C at 760 mmHg (Cal.)
• Flash point: 319.4°C (Cal.)