Strophanthidin + gulomethylose + glucose
Basic information
- CAS
7044-33-9- Standard SMILES
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
CAYUJEAJKPLCAV-LPJFSPNFSA-N- Molecular formula
- C35H52O15
- Average molar mass
- 712.8 g/mol
- Monoisotopic mass
- 712.33062095
Overview
Cheirotoxin has been reported in Erysimum cheiranthoides and Antiaris toxicaria with data available.
Names & identifiers
- Preferred name
- Strophanthidin + gulomethylose + glucose
- IUPAC
- (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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]phenanthrene-10-carbaldehyde
Names & synonyms
Strophanthidin + gulomethylose + glucoseRefChem:1099097(3S,5S,8R,9S,10S,13R,14S,17R)-3-((2R,3R,4S,6R)-3,4-dihydroxy-6-methyl-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-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)phenanthrene-10-carbaldehydeCheirotoxin7044-33-9Strophanthidin + gulomethylose + glucose [German]SCHEMBL31655535
Database identifiers
- CAS
7044-33-9- PubChem CID
- 201886
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,340
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Related reactions
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Compound notes
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