Heteratisine
(1S,2R,3S,6S,9S,10R,14R,17S,18R,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one
Also Known As: Heteratisine|Npc115186|4-27-00-03718 (Beilstein Handbook Reference)|20-Ethyl-6-beta,8-dihydroxy-1-alpha-methoxy-4-methylheteratisan-14-one|(1S,2R,3S,6S,9S,10R,14R,17S,18R,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one|Heteratisan-14-one, 20-ethyl-6,8-dihydroxy-1-methoxy-4-methyl-, (1.alpha.,6.beta.)-
| Molecular Formula | C22H33NO5 |
|---|---|
| Molecular Weight | 391.23587 g/mol |
| LogP | 1.19 |
| Topological Polar Surface Area | 79.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.23587 |
| Heavy Atoms | 28 |
| Complexity | 729.7 |
Chemical Identifiers
| CAS Number | 3328-84-5 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@H](C31)[C@]5(CC[C@H]6C[C@@H]4[C@@H]5C(=O)O6)O)O)OC)C |
Product Overview
Heteratisine (CAS 3328-84-5), with molecular formula C22H33NO5 and molecular weight 391.23587 g/mol. IUPAC: (1S,2R,3S,6S,9S,10R,14R,17S,18R,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one.
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