Oxycort
[CAS# 8017-33-2]

Identification

• Name: Oxycort
• Synonyms: (2Z,4S,4Ar,5S,5Ar,6S,12As)-2-(Amino-Hydroxy-Methylene)-4-Dimethylamino-5,6,10,11,12A-Pentahydroxy-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; Hydrochloride; (2Z,4S,4Ar,5S,5Ar,6S,12As)-2-(Amino-Hydroxymethylene)-4-Dimethylamino-5,6,10,11,12A-Pentahydroxy-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; Hydrochloride
• Molecular Formula: C₄₃H₅₅ClN₂O₁₄
• Molecular Weight: 859.37
• CAS Registry Number: 8017-33-2
• 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)CO)C.[C@@H]67[C@@H](O)[C@@H]5[C@](O)(C8=C(C(=C5C(=O)[C@]6(O)C(=O)\C(C(=O)[C@H]7N(C)C)=C(/O)N)O)C(=CC=C8)O)C.[H+].[Cl-]
• InChI: 1S/C22H24N2O9.C21H30O5.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3;1H/b20-11-;;/t12-,13-,14+,17+,21-,22+;14-,15-,16-,18+,19-,20-,21-;/m10./s1
• InChIKey: FPTUZOJVKTZRHX-VDKCBCCPSA-N

Properties

• Boiling point: 727.8°C at 760 mmHg (Cal.)
• Flash point: 394°C (Cal.)