Isocromadurine
(1R,4R,5S,6S,16R)-5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Also Known As: Fulvine|Isocromadurine|Crispatine|13-Epicrispatine|FS-6733|16-H13-N-O5|4,5-dihydroxy-3,8-dimethyl-naphthalene-1,2-dione|2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4-hydroxy-3,4,5-trimethyl-, (3R,4S,5S,13aR,13bR)-|2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dion|(1R,4R,5S,6S,16R)-5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione|20-Norcrotalanan-11,15-dione, 14,19-dihydro-13-hydroxy-, (12.xi.,13.xi.)-|20-Norcrotalanan-11,15-dione, 14,19-dihydro-13-hydroxy-, (13.alpha.,14.alpha.)-|2H-(1,6)Dioxacycloundecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4-hydroxy-3,4,5-trimethyl-|2H-(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-2,6(3H)-DIONE, 4,5,8,10,12,13,13A,13B-OCTAHYDRO-4-HYDROXY-3,4,5-TRIMETHYL-
| Molecular Formula | C16H23NO5 |
|---|---|
| Molecular Weight | 309.15762 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 309.15762 |
| Monoisotopic Mass | 309.15762 |
| Heavy Atoms | 22 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 57495-69-9 |
|---|---|
| SMILES | C[C@@H]1C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@H]([C@@]1(C)O)C |
| InChIKey | PSUFRPOAICRSTC-ZLGRWFNRSA-N |
Product Overview
Isocromadurine (CAS 57495-69-9), with molecular formula C16H23NO5 and molecular weight 309.15762 g/mol. IUPAC: (1R,4R,5S,6S,16R)-5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione.
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