5β-Cholanic acid 3,7-dione methyl ester

• Catalog Number: ACM7753722
• Product Name: 5β-Cholanic acid 3,7-dione methyl ester
• CAS: 7753-72-2
• Category: Steroidal Compounds
• Synonyms: SureCN3219278, 5|A-Cholanic acid 3,7-dione methyl ester, 7753-72-2
• IUPAC Name: methyl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• Molecular Weight: 402.57
• Molecular Formula: C₂₅H₃₈O₄
• Canonical SMILES: CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(=O)C4)C)C
• InChI Key: UZRRNRRCPZZPNY-AEVHJRAPSA-N
• Exact Mass: 402.27700
• H-Bond Acceptor: 4
• H-Bond Donor: 0