Corynan-16-carboxylic acid, 16,17,19,20-tetradehydro-17-hydroxy-, methyl ester, (16E,19E)-
Basic information
- CAS
439-66-7- Standard SMILES
CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C(C=O)C(=O)OC- InChIKey
AUOFTPXWUVYOOQ-VBIIVCKISA-N- Molecular formula
- C21H24N2O3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.17869263
Names & identifiers
- Preferred name
- Corynan-16-carboxylic acid, 16,17,19,20-tetradehydro-17-hydroxy-, methyl ester, (16E,19E)-
- IUPAC
- methyl 2-[(2R,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-oxopropanoate
Names & synonyms
Corynan-16-carboxylic acid, 16,17,19,20-tetradehydro-17-hydroxy-, methyl ester, (16E,19E)-
Database identifiers
- CAS
439-66-7- PubChem CID
- 439666
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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