Tschangbaischanitine
Basic information
- CAS
124256-83-3- Standard SMILES
CCO[C@@]12C3C4N(C)C[C@]5(COC)[C@H](OC(C)=O)C[C@H](OC)C4([C@@H]4C[C@@](O)([C@H](OC(=O)c6ccccc6)[C@@H]41)[C@@H](OC)[C@@H]2O)[C@@H]5[C@H]3OC- InChIKey
KNAJZQVTYMODQE-LEZSZYMRSA-N- Molecular formula
- C35H49NO11
- Average molar mass
- 659.8 g/mol
- Monoisotopic mass
- 659.33056138
Names & identifiers
- Preferred name
- Tschangbaischanitine
- IUPAC
- [(2R,3R,4R,5R,6S,7S,8R,13R,14R,16S,17S,18R)-14-acetyloxy-8-ethoxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Names & synonyms
Tschangbaischanitine124256-83-3
Database identifiers
- CAS
124256-83-3- PubChem CID
- 78358552
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,230
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Compound notes
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