6 alpha-Hydroxy(Allo)Tetrahydrocortisone
[CAS# 66979-05-3]

Identification

• Name: 6 alpha-Hydroxy(Allo)Tetrahydrocortisone
• Synonyms: (3R,5S,6S,8S,9S,10S,13S,14S,17R)-3,6,17-Trihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-11-One; (3R,5S,6S,8S,9S,10S,13S,14S,17R)-17-Glycoloyl-3,6,17-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-11-One; (3R,5S,6S,8S,9S,10S,13S,14S,17R)-3,6,17-Trihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-11-One
• Molecular Formula: C₂₁H₃₂O₆
• Molecular Weight: 380.48
• CAS Registry Number: 66979-05-3
• SMILES: [C@H]1(CC[C@]3([C@H](C1)[C@H](C[C@H]4[C@@H]2CC[C@](C(CO)=O)([C@@]2(C)CC([C@H]34)=O)O)O)C)O
• InChI: 1S/C21H32O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h11-15,18,22-24,27H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,18-,19+,20+,21+/m1/s1
• InChIKey: BABPAGUDXMPHFU-YEMCHMRASA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 585.829°C at 760 mmHg (Cal.)
• Flash point: 322.136°C (Cal.)