1,13-Etheno-4,21a-methano-1H-azocino(1',2':-1,5)pyrrolo(3,2-e)azacyclopentadecin-18(15H)-one,2,3,5,6,7,8,11,12,13,13a,16,17,19,20,20a,21-hexadecahydro-13-hydroxy-24-(9H-pyrido(3,4-b)indol-1-yl)-, (1R,9Z,13S,13aR,20aS,21aR)-
Basic information
- CAS
117631-50-2- Standard SMILES
O=C1CCCN2C(CC1)CC13CN4CCCC/C=C\CCC(O)(C(c5nccc6c5[nH]c5ccccc56)=CC1CC4)C23- InChIKey
QISXIBAMARHNER-IWQZZHSRSA-N- Molecular formula
- C36H44N4O2
- Average molar mass
- 564.8 g/mol
- Monoisotopic mass
- 564.34642666
Names & identifiers
- Preferred name
- 1,13-Etheno-4,21a-methano-1H-azocino(1',2':-1,5)pyrrolo(3,2-e)azacyclopentadecin-18(15H)-one,2,3,5,6,7,8,11,12,13,13a,16,17,19,20,20a,21-hexadecahydro-13-hydroxy-24-(9H-pyrido(3,4-b)indol-1-yl)-, (1R,9Z,13S,13aR,20aS,21aR)-
- IUPAC
- (16Z)-13-hydroxy-26-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-16,25-dien-7-one
Names & synonyms
1,13-Etheno-4,21a-methano-1H-azocino(1',2':- 1,5)pyrrolo(3,2-e)azacyclopentadecin-18(15H)- one,2,3,5,6,7,8,11,12,13,13a,16,17,19,20,20a,21- hexadecahydro-13-hydroxy-24-(9H-pyrido(3,4-b)indol-1-yl)-, (1R,9Z,13S,13aR,20aS,21aR)-
Database identifiers
- CAS
117631-50-2- PubChem CID
- 6443365
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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