Want to comment
on this record?

Bufadienolide

ChemSpider ID: 26286947
Molecular Formula: C₂₄H₃₄O₂
Average mass: 354.525604 Da
Monoisotopic mass: 354.25589 Da
Systematic name

5-[(5S,8R,9S,10S,13S,14R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
SMILES and InChIs

SMILES:

C[C@]12CCCC[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@H]4c5ccc(=O)oc5)C Copied

Std. InChI:

InChI=1S/C24H34O2/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23/h6,11,15,17-21H,3-5,7-10,12-14H2,1-2H3/t17-,18-,19+,20+,21-,23-,24+/m0/s1 Copied

Std. InChIKey:

YBPMPRDOWHIVNA-JTSGVHQASA-N Copied
Cite this record
CSID:26286947, http://www.chemspider.com/Chemical-Structure.26286947.html (accessed 08:06, May 19, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Bufadienolide [Wiki]

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Advertise Sponsor