retroisosenine
(1R,5R,7R,8R,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadec-12-ene-3,9-dione
Also Known As: retroisosenine|KST-1A7355|(4r,6r,7r,15ar,15br)-4,6,7-trimethyl-4,5,6,7,10,12,14,15,15a,15b-decahydro-2h-4,7-epoxy[1,6]dioxacyclotridecino[2,3,4-gh]pyrrolizine-2,8(3h)-dione|(1~1~R,1~7a~R,5~2~R,5~4~R,5~5~R)-5~2~,5~4~,5~5~-Trimethyl-1~2~,1~3~,1~5~,1~7a~-tetrahydro-1~1~H-2,7-dioxa-1(1,7)-pyrrolizina-5(2,5)-oxolanacyclooctaphane-3,6-dione|4,6,7-Trimethyl-4,5,6,7,10,12,14,15,15a,15b-decahydro-2H-4,7-epoxy[1,6]dioxacyclotridecino[2,3,4-gh]pyrrolizine-2,8(3H)-dione
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17328 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 335.17328 |
| Monoisotopic Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 6687-87-2 |
|---|---|
| SMILES | C[C@@H]1C[C@@]2(CC(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@@]1(O2)C)C |
| InChIKey | KOYQLXLYMDNSGL-RUUWIURISA-N |
Product Overview
retroisosenine (CAS 6687-87-2), with molecular formula C18H25NO5 and molecular weight 335.17328 g/mol. IUPAC: (1R,5R,7R,8R,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadec-12-ene-3,9-dione.
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