Refractin
Basic information
- CAS
2517-52-4- Standard SMILES
COC(=O)C1CC23CCCN4CCC5(c6cccc(OC)c6N(C=O)C15CC2)C43- InChIKey
NJLKGEGVAFDBDJ-UHFFFAOYSA-N- Molecular formula
- C23H28N2O4
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.20490738
Names & identifiers
- Preferred name
- Refractin
- IUPAC
- methyl 2-formyl-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate
Names & synonyms
VellosineRefractinRefractineNSC 787342517-52-4Methyl 1-formyl-17-methoxyaspidofractinine-3-carboxylateNSC7873421-IsorefractineNCIOpen2_008824SCHEMBL29371868NJLKGEGVAFDBDJ-UHFFFAOYSA-Nmethyl formyl(methoxy)[?]carboxylate
Show more names
Aspidofractinine-3-carboxylic acid, 1-formyl-17-methoxy-, methyl ester, (2.alpha.,3.beta.,5.alpha.)-Methyl 1-formyl-17-methoxyaspidofractinine-3-carboxylate #
Database identifiers
- CAS
2517-52-4- PubChem CID
- 494041
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 744
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Compound notes
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