Carolinianine

Base Information

• Chemical Name: Carolinianine
• CAS No.: 36101-39-0
• Molecular Formula: C16H24N2O2
• Molecular Weight: 276.374
• DSSTox Substance ID: DTXSID50331836
• Nikkaji Number: J109.421A
• Wikidata: Q27106075
• Mol file: 36101-39-0.mol

Synonyms:Carolinianine;36101-39-0;(1S,7S,9R,13R,14R)-14-hydroxy-11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-11-en-3-one;Lycocernuine, 14,15-didehydro-;C09856;CHEBI:3430;DTXSID50331836;Q27106075

Chemical Property of Carolinianine

Chemical Property:

• Boiling Point: 466°Cat760mmHg
• Flash Point: 235.6°C
• PSA: 43.78000
• Density: 1.25g/cm³
• LogP: 1.51700
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 276.183778013
• Heavy Atom Count: 20
• Complexity: 461

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C(CCC3N2C(C1)CC4N3C(=O)CCC4)O
• Isomeric SMILES: CC1=C[C@@H]2[C@@H](CC[C@H]3N2[C@H](C1)C[C@H]4N3C(=O)CCC4)O
• Description: The structure of this alkaloid from Lycopodium carolinianum L. has been given as that shown above from spectroscopic examination. It forms colourless crystals from Me 2CO with m.p. 198.5- 201.5°C and furnishes a mono acetate, m.p.141-4°C.