Garryine
(1R,2S,5S,7S,8R,11S,12R)-12-methyl-6-methylidene-14-oxa-17-azahexacyclo[10.6.3.15,8.01,11.02,8.013,17]docosan-7-ol
Also Known As: Garryine|Garryine [MI]|ISOGARRYFOLINE|(1R,2S,5S,7S,8R,11S,12R)-12-methyl-6-methylidene-14-oxa-17-azahexacyclo[10.6.3.15,8.01,11.02,8.013,17]docosan-7-ol|(3R,5S,5aR,7aR,8R,8aR,13aS,13bS)-8-Methyl-4-methylenedodecahydro-6H,13H-3,5a-methano-8,13a-propanocyclohepta(H)oxazolo(3,2-b)isoquinolin-5-ol|(3S,5S,5aR,7aS,8R,13aR,13bS)-8-Methyl-4-methylidenedodecahydro-6H,13H-3,5a-methano-8,13a-propanocyclohepta[h][1,3]oxazolo[3,2-b]isoquinolin-5-ol|6H,13H-3,5a-Methano-8,13a-propanocyclohept(H)oxazolo(3,2-b)isoquinolin-5-ol, dodecahydro-8-methyl-4-methylene-, (3R,5S,5aR,7aR,8R,8aR,13aS,13bS)-|6H,13H-3,5a-Methano-8,13a-propanocyclohept(H)oxazolo(3,2-b)isoquinolin-5-ol, dodecahydro-8-methyl-4-methylene-, (3R-(3alpha,5alpha,5aalpha,7abeta,8beta,8aalpha,13abeta,13bbeta))-
| Molecular Formula | C22H33NO2 |
|---|---|
| Molecular Weight | 343.25113 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 343.25113 |
| Monoisotopic Mass | 343.25113 |
| Heavy Atoms | 25 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 561-51-3 |
|---|---|
| SMILES | C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@H]3CC[C@@H](C4)C(=C)[C@@H]5O)CN6C2OCC6 |
| InChIKey | IVNWJNHFVISYHC-ASBMQCJXSA-N |
Product Overview
Garryine (CAS 561-51-3), with molecular formula C22H33NO2 and molecular weight 343.25113 g/mol. IUPAC: (1R,2S,5S,7S,8R,11S,12R)-12-methyl-6-methylidene-14-oxa-17-azahexacyclo[10.6.3.15,8.01,11.02,8.013,17]docosan-7-ol.
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