Basic information
- CAS
14028-90-1- Standard SMILES
COc1cc2c(cc1OC)[C@@H]1O[C@H](OC)c3c(ccc(OC)c3OC)[C@H]1N(C)CC2- InChIKey
NGGOLDIRUNJLSH-GIWBLDEGSA-N- Molecular formula
- C23H29NO6
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.19948764
Overview
Alpinine is an alkaloid.
Names & identifiers
- Preferred name
- (4bR,11bS,13S)-4b,5,6,7,11b,13-Hexahydro-1,2,9,10,13-pentamethoxy-5-methyl(2)benzopyrano(3,4-a)(3)benzazepine
- IUPAC
- (1S,11R,18S)-4,5,15,16,18-pentamethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.02,7.012,17]nonadeca-2,4,6,12(17),13,15-hexaene
- English name
- (6α)-2,3,8β,10,11-Pentamethoxy-16-methylrheadan
- Molecular formula
- C23H29NO6
- Molecular weight
- 415.47946
Names & synonyms
Alpinine14028-90-1DTXSID10331756(1S,11R,18S)-4,5,15,16,18-pentamethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.02,7.012,17]nonadeca-2,4,6,12(17),13,15-hexaene(1S,11R,18S)-4,5,15,16,18-pentamethoxy-10-methyl-19-oxa-10-azatetracyclo(9.8.0.02,7.012,17)nonadeca-2,4,6,12(17),13,15-hexaeneRefChem:1050472DTXCID10282850(4bR,11bS,13S)-4b,5,6,7,11b,13-Hexahydro-1,2,9,10,13-pentamethoxy-5-methyl(2)benzopyrano(3,4-a)(3)benzazepineC09331CHEBI:2610orb2942935SCHEMBL30555711
Show more names
(6α)-2,3,8β,10,11-Pentamethoxy-16-methylrheadan
TN9121NS00094635Q271057342,3,8beta,10,11-Pentamethoxy-16-methyl-6alpha-rheadan
Database identifiers
- CAS
14028-90-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 564
Chemistry & industry
Applications
UsesAlpinine is a alkaloid that that can be isolated from the Papaver bracreatum[1].
Additional notes
DefinitionChEBI: Alpinine is an alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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