Aconitane-1,7,8,14-tetrol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, (1alpha,14alpha,16beta)-
Basic information
- CAS
71609-78-4- Standard SMILES
CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(CC23)C14- InChIKey
KLZURCUGZWEIAU-UHFFFAOYSA-N- Molecular formula
- C23H37NO6
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.2620879
Overview
Aconitane-1,7,8,14-tetrol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, (1alpha,14alpha,16beta)- has been reported in Aconitum napellus with data available.
Names & identifiers
- Preferred name
- Aconitane-1,7,8,14-tetrol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, (1alpha,14alpha,16beta)-
- IUPAC
- 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
Names & synonyms
71609-78-4Aconitane-1,7,8,14-tetrol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, (1alpha,14alpha,16beta)-DTXSID0099217320-ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,7,8,14-tetrol
Database identifiers
- CAS
71609-78-4- PubChem CID
- 156253
- DTXSID
DTXSID00992173
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 751
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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