(11beta)-21-(acetyloxy)-11,17-dihydroxy-Pregn-4-ene-3,20-dione mixt. with 4-(3-(4-butoxyphenoxy)propyl)morpholine hydrochloride
[CAS# 78457-00-8]

Identification

• Name: (11beta)-21-(acetyloxy)-11,17-dihydroxy-Pregn-4-ene-3,20-dione mixt. with 4-(3-(4-butoxyphenoxy)propyl)morpholine hydrochloride
• Synonyms: 4-[3-(4-Butoxyphenoxy)Propyl]Morpholine; [2-[(8S,9S,10R,11S,13S,14S,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] Acetate; Hydrochloride; Acetic Acid [2-[(8S,9S,10R,11S,13S,14S,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; 4-[3-(4-Butoxyphenoxy)Propyl]Morpholine; Hydrochloride
• Molecular Formula: C₄₀H₆₀ClNO₉
• Molecular Weight: 734.37
• CAS Registry Number: 78457-00-8
• SMILES: [C@]34([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C3)CC[C@]4(O)C(=O)COC(=O)C)C.[H+].C(N5CCOCC5)CCOC6=CC=C(OCCCC)C=C6.[Cl-]
• InChI: 1S/C23H32O6.C17H27NO3.ClH/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3;1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3;5-8H,2-4,9-15H2,1H3;1H/t16-,17-,18-,20+,21-,22-,23-;;/m0../s1
• InChIKey: XSXIALFLJUWMMT-NOQYICHDSA-N

Properties

• Boiling point: 576.6°C at 760 mmHg (Cal.)
• Flash point: 196.2°C (Cal.)