Basic information
- CAS
101247-23-8- Standard SMILES
CCN1CC2(COC)C(O)CC(OC)C34[C@@H]5C[C@@]6(O)C(OC(=O)c7ccc(OC)cc7)C5[C@@](OC)(C(C(OC)[C@H]23)[C@@H]14)C(O)[C@@H]6OC- InChIKey
DWVVOMRTTNVOTP-HHQHWSDJSA-N- Molecular formula
- C34H49NO11
- Average molar mass
- 647.8 g/mol
- Monoisotopic mass
- 647.33056138
Names & identifiers
- Preferred name
- [(2R,5R,6S,8R,10R,17S)-11-ethyl-5,7,14-trihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
- IUPAC
- [(2R,5R,6S,8R,10R,17S)-11-ethyl-5,7,14-trihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Database identifiers
- CAS
101247-23-8- PubChem CID
- 58229
- DTXSID
DTXSID60906019
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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