Strophanthidin, 3-diazoacetate

HCID 3895083

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 15571-17-2
Standard SMILES: CC12CCC3C(CCC4(O)CC(OC(=O)C=[N+]=[N-])CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
InChIKey: DGUCOLUELMRNRY-UHFFFAOYSA-N
Molecular formula: C25H32N2O7
Average molar mass: 472.5 g/mol
Monoisotopic mass: 472.22095136

Names & identifiers

Preferred name: Strophanthidin, 3-diazoacetate
IUPAC: [10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-diazoacetate

Names & synonyms

Strophanthidin, 3-diazoacetate15571-17-2DTXSID50421448NSC96740NSC-967403-{[(E)-2-Diazonio-1-oxidoethen-1-yl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide

Database identifiers

CAS: 15571-17-2
PubChem CID: 3895083
DTXSID: DTXSID50421448

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 112 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 34
Formal charge: 0
Complexity: 1,010

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…