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.

Bufalin

Name: Bufalin
SKU: ACM465214
Rating: 5 (1 reviews)

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Catalog Number	ACM465214
CAS	465-21-4
Structure
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
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
Molecular Weight	386.52
Molecular Formula	C24H34O4
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
InChIKey	QEEBRPGZBVVINN-ZXRSHIDQSA-N
Purity	98%
Appearance	White powder

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