(8S,9S,10R,13S,14S,17R)-17-[(1S)-1,2-Dihydroxyethyl]-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[a]Phenanthrene-3,11-Dione
[CAS# 3615-87-0]

Identification

• Name: (8S,9S,10R,13S,14S,17R)-17-[(1S)-1,2-Dihydroxyethyl]-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[a]Phenanthrene-3,11-Dione
• Synonyms: (8S,9S,10R,13S,14S,17R)-17-[(1S)-1,2-Dihydroxyethyl]-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthrene-3,11-Quinone; 17,20Beta,21-Trihydroxypregn-4-Ene-3,11-Dione; 20-Dihydrocortisone
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.47
• CAS Registry Number: 3615-87-0
• SMILES: [C@@]14(C)[C@H]([C@H]3[C@H](C(C1)=O)[C@]2(C)C(=CC(CC2)=O)CC3)CC[C@@]4([C@H](CO)O)O
• 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/h9,14-15,17-18,22,25-26H,3-8,10-11H2,1-2H3/t14-,15-,17-,18+,19-,20-,21-/m0/s1
• InChIKey: XBIDABJJGYNJTK-VDUMFTQRSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 588.152°C at 760 mmHg (Cal.)
• Flash point: 323.539°C (Cal.)