Hydrocortisone-[1,2,6,7-3H(N)]
[CAS# 70094-60-9]

Identification

• Name: Hydrocortisone-[1,2,6,7-3H(N)]
• Synonyms: (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-1,2,6,7-Tetratritio-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11S,13S,14S,17R)-17-Glycoloyl-11,17-Dihydroxy-10,13-Dimethyl-1,2,6,7-Tetratritio-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-1,2,6,7-Tetratritio-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₂₆T₄O₅
• Molecular Weight: 370.50
• CAS Registry Number: 70094-60-9
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)C(C1[3H])[3H])C(C2[3H])[3H])C)[C@@H](O)C[C@]4([C@H]3CC[C@]4(O)C(=O)CO)C
• InChI: 1S/C21H30O5/c1-19-7-5-13(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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1/i3T,4T,5T,7T/t3?,4?,5?,7?,14-,15-,16-,18+,19-,20-,21-
• InChIKey: JYGXADMDTFJGBT-YPISDNQJSA-N

Properties

• Boiling point: 566.45°C at 760 mmHg (Cal.)
• Flash point: 310.428°C (Cal.)