16 alpha,18-Dihydroxydeoxycorticosterone
[CAS# 42280-41-1]

Identification

• Name: 16 alpha,18-Dihydroxydeoxycorticosterone
• Synonyms: (8R,9S,10R,13R,14S,16R,17R)-16-Hydroxy-13-(Hydroxymethyl)-17-(2-Hydroxy-1-Oxoethyl)-10-Methyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8R,9S,10R,13R,14S,16R,17R)-17-Glycoloyl-16-Hydroxy-10-Methyl-13-Methylol-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8R,9S,10R,13R,14S,16R,17R)-16-Hydroxy-17-(2-Hydroxyethanoyl)-13-(Hydroxymethyl)-10-Methyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.47
• CAS Registry Number: 42280-41-1
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC[C@@]3([C@H]([C@H](O)C4)C(=O)CO)CO
• InChI: 1S/C21H30O5/c1-20-6-4-13(24)8-12(20)2-3-14-15(20)5-7-21(11-23)16(14)9-17(25)19(21)18(26)10-22/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15+,16+,17-,19-,20+,21-/m1/s1
• InChIKey: LQDWRDKUGCBNNG-ZCFNEMSWSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 577.826°C at 760 mmHg (Cal.)
• Flash point: 317.301°C (Cal.)