Integerrimine
(1R,4E,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Also Known As: Integerrimine|Squalidine|Intergerrimine|Squalidin|Inegerrimine|Aureine|(-)-Integerrimine|Sencionine|Senecionin|SENECIONINE|senecionine, (15E)-isomer|(15E)-12-Hydroxysenecionan-11,16-dione|16-dione,12-hydroxy-senecionan-1|12-Hydroxysenecionan-11,16-dione|SENECIONINE C15-TRANS ISOMER|Senecionan-11,16-dione, 12-hydroxy-, (15E)-|Senecionan-11,16-dione, 12-hydroxy-|SENECIONINE C15-TRANS ISOMER [MI]|(15Z)-12-hydroxysenecionan-11,16-dione|(20E)-12-Hydroxysenecionan-11,16-dione|(15cis)-12-Hydroxysenecionan-11,16-dione|(1R,4E,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17328 g/mol |
| LogP | 1.1928 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 335.17328 |
| Monoisotopic Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 606.5304 |
Chemical Identifiers
| CAS Number | 480-79-5 |
|---|---|
| SMILES | C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C |
Product Overview
Integerrimine (CAS 480-79-5), with molecular formula C18H25NO5 and molecular weight 335.17328 g/mol. IUPAC: (1R,4E,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione.