Bufalin

• CAS: 465-21-4
• Catalog Number: ACM465214
• Category: Other Products
• Molecular Weight: 386.52
• Molecular Formula: C24H34O4
• Synonyms: 22-dienolide,3,14-dihydroxy-,(3-beta,5-beta)-bufa-2;22-dienolide,3-beta,14-dihydroxy-5-beta-bufa-2;BUFA-20,22-DIENOLIDE, 3,14-DIHYDROXY-, (3B,5B)-;BUFALIN;(3BETA,5BETA)-3,14-DIHYDROXYBUFA-20,22-DIENOLIDE;3-BETA-14-DIHYDROXY-5-BETA-BUFA-20,22-DIENOLIDE;3BETA,14-DIHYDROXY-5BETA,20[22]-BUFADIENOLIDE;5BETA,20[22]-BUFADIENOLIDE-3BETA,14-DIOL
• IUPAC Name: 5-[(3S,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
• Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O
• InChI: InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19?,20?,22+,23-,24+/m1/s1
• InChI Key: QEEBRPGZBVVINN-ZXRSHIDQSA-N
• Appearance: White powder
• Hazard Statements: T+
• Safety Description: 28-36/37-45
• Supplemental Hazard Statements: H300
• Symbol: GHS06

Custom Q&A

What is the molecular formula of bufalin?

The molecular formula of bufalin is C24H34O4.

Is bufalin a natural product found in Cunninghamella blakesleeana?

Yes, bufalin is a natural product found in Cunninghamella blakesleeana.

What is the molecular weight of bufalin?

The molecular weight of bufalin is 386.5 g/mol.

What is the IUPAC name of bufalin?

The IUPAC name of bufalin is 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.

What is the InChIKey of bufalin?

The InChIKey of bufalin is QEEBRPGZBVVINN-BMPKRDENSA-N.

Is bufalin a specific Na+/K+-ATPase inhibitor?

Yes, bufalin is a specific Na+/K+-ATPase inhibitor.

What is the Canonical SMILES of bufalin?

The Canonical SMILES of bufalin is CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O.

What is the European Community (EC) Number of bufalin?

The European Community (EC) Number of bufalin is 621-198-0.

What is the ChEMBL ID of bufalin?

The ChEMBL ID of bufalin is CHEMBL399680.

Is bufalin a cardiotonic and antineoplastic agent?

Yes, bufalin is a cardiotonic and antineoplastic agent.