5β-Dihydrocortisone acetate 21-acetate

• Catalog Number: ACM1499598
• Product Name: 5β-Dihydrocortisone acetate 21-acetate
• CAS: 1499-59-8
• Category: Steroidal Compounds
• Synonyms: 17-alpha,21-dihydroxy-5-beta-pregnane-3,11,20-trione 21-acetate;NSC22843;21-Acetyloxy-17-hydroxy-5β-pregnane-3,11,20-trione;Pregnane-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, (5.beta.)-
• IUPAC Name: [2-[(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
• Molecular Weight: 404.5
• Molecular Formula: C₂₃H₃₂O₆
• Canonical SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4C3(CCC(=O)C4)C)C)O
• InChI Key: AZCNJEFLSOQGST-LPEMZKRWSA-N
• Boiling Point: 556.1ºC at 760mmHg
• Flash Point: 187.9ºC
• Density: 1.224g/cm³
• EC Number: 216-111-4
• Exact Mass: 404.22000
• H-Bond Acceptor: 6
• H-Bond Donor: 1