5-beta-Pregnan-17,21-Diol-3,20-Dione
[CAS# 566-42-7]

Identification

• Name: 5-beta-Pregnan-17,21-Diol-3,20-Dione
• Synonyms: (5R,8R,9S,10S,13S,14S,17R)-17-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (5R,8R,9S,10S,13S,14S,17R)-17-Glycoloyl-17-Hydroxy-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (5R,8R,9S,10S,13S,14S,17R)-17-Hydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 566-42-7
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1([C@@H](CC(=O)CC1)CC2)C)CC[C@@]3([C@](C(CO)=O)(O)CC4)C
• InChI: 1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13,15-17,22,25H,3-12H2,1-2H3/t13-,15-,16+,17+,19+,20+,21+/m1/s1
• InChIKey: WNIBSYGPDJBVOA-BRRPRDELSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 503.961°C at 760 mmHg (Cal.)
• Flash point: 272.679°C (Cal.)