Axillaridine
(1R,4R,5R,6R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Also Known As: Axillaridine|Othonnine|(1R,4R,5R,6R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione|17,18-Dinorcrotalanan-11,15-dione, 12-ethyl-14,19-dihydro-12,13-dihydroxy-19-methyl-, (12x,13x)-|(1R,4R,5R,6R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo(8.5.1.013,16)hexadec-10-ene-3,7-dione
| Molecular Formula | C18H27NO6 |
|---|---|
| Molecular Weight | 353.18384 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.18384 |
| Monoisotopic Mass | 353.18384 |
| Heavy Atoms | 25 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 119565-25-2 |
|---|---|
| SMILES | CC[C@]1([C@@H]([C@H](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC1=O)C(C)C)O)O |
| InChIKey | PHBXHCOARFTKGZ-VFCJXBEMSA-N |
Product Overview
Axillaridine (CAS 119565-25-2), with molecular formula C18H27NO6 and molecular weight 353.18384 g/mol. IUPAC: (1R,4R,5R,6R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione.
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