Basic information
- CAS
63979-66-8- Standard SMILES
CCN(CC)CC(=O)O[C@H]1CC[C@]2(C=O)C3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)C3CC[C@]2(O)C1- InChIKey
INBSTAZMSSCMKU-DLYQOUECSA-N- Molecular formula
- C29H43NO7
- Average molar mass
- 517.7 g/mol
- Monoisotopic mass
- 517.30395271
Names & identifiers
- Preferred name
- Strophanthidin-3-diethylaminoacetate
- IUPAC
- [(3S,5S,10S,13R,14S,17R)-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-(diethylamino)acetate
- English name
- Strophanthidin 3-[(diethylamino)acetate]
- Molecular formula
- C29H43NO7
- Molecular weight
- 517.65
Names & synonyms
3-Diethylaminoacetyl strophantidinBRN 0069824Strophanthidin-3-diethylaminoacetateStrophanthidin, 3-diethylaminoacetyl-63979-66-8Glycine, N,N-diethyl-, ester with strophanthidin4-18-00-03135 (Beilstein Handbook Reference)(3-beta,5-beta)-3-((Diethylaminoacetyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolideCard-20(22)-enolide, 3-((diethylaminoacetyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-RefChem:382321DTXSID509815523-[(N,N-Diethylglycyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Show more names
Strophanthidin 3-[(diethylamino)acetate]Card-20(22)-enolide, 3-[[(diethylamino)acetyl]oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- (9CI)
(8xi,9xi)-3beta-[(N,N-Diethylglycyl)oxy]-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 977
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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