Icaceine
(1R,12R,15R,16S,19R)-6-(dimethylamino)-16-hydroxy-1,5,15-trimethyl-8,13-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-10-en-14-one
Also Known As: Icaceine|(1R,12R,15R,16S,19R)-6-(dimethylamino)-16-hydroxy-1,5,15-trimethyl-8,13-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-10-en-14-one|(3beta,6beta,9xi,13xi)-15-(dimethylamino)-3-hydroxy-6,18:14,16-diepoxypimar-7-en-18-one|(9xi,13xi)-15-(Dimethylamino)-3beta-hydroxy-6beta-6,18:14,16-diepoxypimar-7-en-18-one|(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|9H-Phenanthro(1,2-b:9,8-b'c')difuran-9-one, 3-(dimethylamino)-2,3,3a,4,5,5a,5b,6,7,8,8a,10a,10b,11b-tetradecahydro-8-hydroxy-3a,5b,8a-trimethyl-, (5bR,8S,8aR,10aR,10bR)-
| Molecular Formula | C22H33NO4 |
|---|---|
| Molecular Weight | 375.24097 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 375.24097 |
| Monoisotopic Mass | 375.24097 |
| Heavy Atoms | 27 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 74991-71-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@]3([C@@H]1[C@@H](C=C4C2CCC5(C4OCC5N(C)C)C)OC3=O)C)O |
| InChIKey | MRVMMDQTZLIFLF-IQTYJBGDSA-N |
Product Overview
Icaceine (CAS 74991-71-2), with molecular formula C22H33NO4 and molecular weight 375.24097 g/mol. IUPAC: (1R,12R,15R,16S,19R)-6-(dimethylamino)-16-hydroxy-1,5,15-trimethyl-8,13-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-10-en-14-one.
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