Magellanine
Basic information
- CAS
61273-75-4- Standard SMILES
CC1=CC(=O)[C@]23C[C@@H]4CN(C)CC[C@@H]4[C@H]2[C@@H](O)C[C@@H]3C1- InChIKey
ADRPSBGLUHNVOU-INSRFAMQSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.18852904
Overview
Magellanine is a member of piperidines.
Names & identifiers
- Preferred name
- Magellanine
- IUPAC
- (1S,3S,8S,9R,10S,12S)-10-hydroxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one
- English name
- Magellanine
- Molecular formula
- C17H25NO2
- Molecular weight
- 275.39
Names & synonyms
Magellanine(-)-Magellanine61273-75-4BLX5LW8WRADTXSID90976765(1S,3S,8S,9R,10S,12S)-10-hydroxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-en-16-one1H-Benzo(3a,4)pentaleno(2,1-c)pyridin-1-one, 4,4a,5,6,6a,6b,7,8,9,10,10a,11-dodecahydro-6-hydroxy-3,9-dimethyl-, (4aS-(4aalpha,6alpha,6abeta,6balpha,10aalpha,11aR*))-(6S)-3,6-dimethyl-6,7-dihydro-5H-benzofuran-4-one(1S,3S,8S,9R,10S,12S)-10-hydroxy-5,14-dimethyl-5-azatetracyclo(7.7.0.01,12.03,8)hexadec-14-en-16-oneRefChem:155145DTXCID301404135C09886
Show more names
1H-Benzo[3a,4]pentaleno[2,1-c]pyridin-1-one, 4,4a,5,6,6a,6b,7,8,9,10,10a,11-dodecahydro-6-hydroxy-3,9-dimethyl-, (4aS,6S,6aR,6bS,10aS,11aS)-
UNII-BLX5LW8WRACHEBI:6634orb2813843TN8364Q6730091(4AS,6S,6AR,6BS,10AS,11AS)-4,4A,5,6,6A,6B,7,8,9,10,10A,11-DODECAHYDRO-6-HYDROXY-3,9-DIMETHYL-1H-BENZO(3A,4)PENTALENO(2,1-C)PYRIDIN-1-ONE(4aS,6S,6aR,6bS,10aS,11aS)-6-Hydroxy-3,9-dimethyl-4,4a,5,6,6a,6b,7,8,9,10,10a,11-dodecahydro-1H-benzo[3a,4]pentaleno[2,1-c]pyridin-1-one1H-Benzo(3a,4)pentaleno(2,1-c)pyridin-1-one, 4,4a,5,6,6a,6b,7,8,9,10,10a,11-dodecahydro-6-hydroxy-3,9-dimethyl-, (4aS,6S,6aR,6bS,10aS,11aS)-
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- FDA UNII
- 5 LW8WRA · BLX5LW8WRA
Chemistry & industry
Additional notes
DefinitionChEBI: Magellanine is a member of piperidines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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