Aconitane-7,8-diol, 20-ethyl-1,6,14,16-tetramethoxy-4-(((2-((4-methoxy-1,4-dioxobutyl)amino)benzoyl)oxy)methyl)-, (1alpha,6beta,14alpha,16beta)-
Basic information
- CAS
69787-05-9- Standard SMILES
CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)CCC(=O)OC)CC[C@H](OC)C34C1C(O)([C@@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)C2C[C@@H]4[C@@H]1[C@H]2OC- InChIKey
SVMCGAKQNRLCHV-GXEOGJEDSA-N- Molecular formula
- C37H52N2O11
- Average molar mass
- 700.8 g/mol
- Monoisotopic mass
- 700.35711048
Names & identifiers
- Preferred name
- Aconitane-7,8-diol, 20-ethyl-1,6,14,16-tetramethoxy-4-(((2-((4-methoxy-1,4-dioxobutyl)amino)benzoyl)oxy)methyl)-, (1alpha,6beta,14alpha,16beta)-
- IUPAC
- [(2R,3R,4S,6S,8R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-methoxy-4-oxobutanoyl)amino]benzoate
Names & synonyms
69787-05-9Aconitane-7,8-diol, 20-ethyl-1,6,14,16-tetramethoxy-4-(((2-((4-methoxy-1,4-dioxobutyl)amino)benzoyl)oxy)methyl)-, (1alpha,6beta,14alpha,16beta)-
Database identifiers
- CAS
69787-05-9- PubChem CID
- 155333
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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