Jacozine
(1R,3'S,4S,7R,17R)-7-hydroxy-3',7-dimethyl-6-methylidenespiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
Also Known As: Jacozine|13,19-didehydrojacobine|(1R,3'S,4S,7R,17R)-7-hydroxy-3',7-dimethyl-6-methylidenespiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione|Senecionan-11,16-dione, 13,19-didehydro-15,20-epoxy-15,20-dihydro-12-hydroxy-, (15alpha,20S)-|Spiro((1,6)dioxacyclododecino(2,3,4-gh)pyrrolizine-3(2H),2'-oxirane)-2,7(4H)-dione, 5,6,9,11,13,14,14a,14b-octahydro-6-hydroxy-3',6-dimethyl-5-methylene-, (3S,3'S,6R,14aR,14bR)-|12-hydroxy-13,19-didehydro-15,20-dihydro-15,20-epoxysenecionan-11,16-dione|(2S,3S,6'R,9a1'R,14a'R)-6'-hydroxy-3,6'-dimethyl-5'-methylene-5',6',9',9a1',11',13',14',14a'-octahydro-2'H-spiro[oxirane-2,3'-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine]-2',7'(4'H)-dione|(3S,3'S,6R,14aR,14bR)-6-hydroxy-3',6-dimethyl-5-methylidene-5,6,9,11,13,14,14a,14b-octahydro-2H-spiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-3,2'-oxirane]-2,7(4H)-dione|SENECIONAN-11,16-DIONE, 13,19-DIDEHYDRO-15,20-EPOXY-15,20-DIHYDRO-12-HYDROXY-, (15.ALPHA.,20S)-|spiro((1,6)dioxacyclododecino(2,3,4-gh)pyrrolizine-3(2h),2'-oxirane)-2,7(4h)-dione, 5,6,9,11,13,14,14a,14b-octahydro-6-hydroxy-3',6-dimethyl-5-methylene-,(3s,3's,6r,14ar,14br)-|(15S,20S)-12-hydroxy-13,19-didehydro-15,20-dihydro-15,20-epoxysenecionan-11,16-dione|(20S)-13,19-Didehydro-15alpha,20-epoxy-15,20-dihydro-12-hydroxysenecionan-11,16-dione|(1'R,2S,3S,7'R,17'R)-7'-hydroxy-3,7'-dimethyl-6'-methylidene-2',9'-dioxa-14'-azaspiro[oxirane-2,4'-tricyclo[9.5.1.014,17]heptadecan]-11'-ene-3',8'-dione|(1R,3'S,4S,7R,17R)-7-hydroxy-3',7-dimethyl-6-methylidenespiro(2,9-dioxa-14-azatricyclo(9.5.1.014,17)heptadec-11-ene-4,2'-oxirane)-3,8-dione|(3S,3'S,6R,14aR,14bR)-6-hydroxy-3',6-dimethyl-5-methylidene-5,6,9,11,13,14,14a,14b-octahydro-2H-spiro(1,6-dioxacyclododecino(2,3,4-gh)pyrrolizine-3,2'-oxirane)-2,7(4H)-dione
| Molecular Formula | C18H23NO6 |
|---|---|
| Molecular Weight | 349.15253 g/mol |
| LogP | 0.32 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 349.15253 |
| Heavy Atoms | 25 |
| Complexity | 683.1 |
Chemical Identifiers
| CAS Number | 5532-23-0 |
|---|---|
| SMILES | C[C@H]1[C@@]2(O1)CC(=C)[C@@](C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC2=O)(C)O |
Product Overview
Jacozine (CAS 5532-23-0), with molecular formula C18H23NO6 and molecular weight 349.15253 g/mol. IUPAC: (1R,3'S,4S,7R,17R)-7-hydroxy-3',7-dimethyl-6-methylidenespiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione.
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