(-)-Tylocrebrine
Basic information
- CAS
61302-92-9- Standard SMILES
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)CN1CCC[C@H]1C3- InChIKey
YFEPHJVWLFGWKH-AWEZNQCLSA-N- Molecular formula
- C24H27NO4
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.19400834
Overview
(-)-Tylocrebrine is an organonitrogen heterocyclic compound and an organic heteropentacyclic compound.
Names & identifiers
- Preferred name
- (-)-Tylocrebrine
- IUPAC
- (13aS)-2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
Names & synonyms
(-)-TylocrebrineTylocrebrine, (-)-Tylocrebrine L-form [MI]61302-92-9UNII-YZ2Y4V1041YZ2Y4V1041Dibenzo(f,H)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (13aS)-Dibenzo(f,H)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (S)-CHEBI:120SCHEMBL30224980SCHEMBL41977809DTXSID40331986
Show more names
CCG-36129(13aS)-2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizineQ27105249(13aS)-2,3,5,6-Tetramethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline
Database identifiers
- CAS
61302-92-9- PubChem CID
- 442875
- DTXSID
DTXSID40331986- ChEBI
CHEBI:120- UNII
- YZ2Y4V1041
- Nikkaji
- J2.770.900A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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