Kopsijasminilam
Basic information
- CAS
114639-87-1- Standard SMILES
COC(=O)C1=C[C@]2(O)CCCN3CCC4(C3=O)c3ccccc3N(C(=O)OC)C14CC2- InChIKey
CTDOYMUKENYJJU-UVKLAMSESA-N- Molecular formula
- C23H26N2O6
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.17908655
Overview
See also: Kopsijasminilam (annotation moved to).
Names & identifiers
- Preferred name
- Kopsijasminilam
- IUPAC
- dimethyl (16S)-16-hydroxy-21-oxo-2,12-diazapentacyclo[14.2.2.19,12.01,9.03,8]henicosa-3,5,7,17-tetraene-2,18-dicarboxylate
- English name
- kopsijasminilam
- Molecular formula
- C23H26N2O6
- Molecular weight
- 426.47
Names & synonyms
Kopsijasminilam114639-87-1dimethyl (16S)-16-hydroxy-21-oxo-2,12-diazapentacyclo[14.2.2.19,12.01,9.03,8]henicosa-3,5,7,17-tetraene-2,18-dicarboxylateDTXSID20921440Dimethyl (7S)-7-hydroxy-15-oxo-1,2,4,5,6,7-hexahydro-10H-7,9a-ethano-3,14b-methanoazacycloundecino[5,4-b]indole-9,10-dicarboxylateDimethyl 7-hydroxy-15-oxo-1,2,4,5,6,7-hexahydro-10H-7,9a-ethano-3,14b-methanoazacycloundecino[5,4-b]indole-9,10-dicarboxylate10H-7,9a-Ethano-3,14b-methanoazacycloundecino[5,4-b]indole-9,10-dicarboxylic acid, 1,2,4,5,6,7-hexahydro-7-hydroxy-15-oxo-, 9,10-dimethyl ester, (3R,7S,9aS,14bS)-
Database identifiers
- CAS
114639-87-1- PubChem CID
- 196698
- DTXSID
DTXSID20921440
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 857
Physicochemical properties
- Boiling point
- 611.9 · 611.9±55.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 13.35 · 13.35±0.40(Predicted)
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Related reactions
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Compound notes
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