[(2R,3R,5R,6S,8R,10R,17S)-8-ethoxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Basic information
- CAS
101247-24-9- Standard SMILES
CCO[C@@]12C3C(OC)[C@@H]4C5(COC)CN(CC)[C@H]3C4(C(OC)CC5O)[C@@H]3C[C@@](O)(C(OC(=O)c4ccc(OC)cc4)[C@@H]31)[C@@H](OC)C2O- InChIKey
MEDAVJUDBOUFMR-RPVIJPBRSA-N- Molecular formula
- C35H51NO11
- Average molar mass
- 661.8 g/mol
- Monoisotopic mass
- 661.34621144
Names & identifiers
- Preferred name
- [(2R,3R,5R,6S,8R,10R,17S)-8-ethoxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
- IUPAC
- [(2R,3R,5R,6S,8R,10R,17S)-8-ethoxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Database identifiers
- CAS
101247-24-9- PubChem CID
- 58230
- DTXSID
DTXSID70906020
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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