(14beta,17R)-3beta,14,21-Trihydroxy-5beta-Pregnan-20-One 3,21-Diacetate
[CAS# 67462-35-5]

Identification

• Name: (14beta,17R)-3beta,14,21-Trihydroxy-5beta-Pregnan-20-One 3,21-Diacetate
• Synonyms: [(3S,5R,8R,9S,10S,13R,14S,17R)-17-(2-Acetoxyacetyl)-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [(3S,5R,8R,9S,10S,13R,14S,17R)-17-(2-Acetoxy-1-Oxoethyl)-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3S,5R,8R,9S,10S,13R,14S,17R)-17-(2-Acetoxyacetyl)-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₂₅H₃₈O₆
• Molecular Weight: 434.57
• CAS Registry Number: 67462-35-5
• SMILES: [C@@H]1(CC[C@]3([C@@H](C1)CC[C@H]4[C@]2(CC[C@@H](C(COC(=O)C)=O)[C@@]2(C)CC[C@H]34)O)C)OC(=O)C
• InChI: 1S/C25H38O6/c1-15(26)30-14-22(28)21-9-12-25(29)20-6-5-17-13-18(31-16(2)27)7-10-23(17,3)19(20)8-11-24(21,25)4/h17-21,29H,5-14H2,1-4H3/t17-,18+,19+,20-,21+,23+,24-,25+/m1/s1
• InChIKey: SHDBIRRQXSOJGM-IAIFLBNXSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 527.85°C at 760 mmHg (Cal.)
• Flash point: 169.883°C (Cal.)