Account Wilfortrine
- Catalog No. :
- ACRJHI759
- CAS No. :
- 37239-48-8
- Molecular Formula :
- C41H47NO20
- Molecular Weight :
- 873.81
IUPAC Name:(52R,53R,54R,55S,55aR,56R,57R,58S,59S,59aS,510R,8R)-55a-(acetoxymethyl)-57-((furan-3-carbonyl)oxy)-59,8-dihydroxy-52,59,8-trimethyl-2,7-dioxo-53,54,55,55a,56,57,58,59-octahydro-52H-3,6-dioxa-1(3,2)-pyridina-5(2,8)-3,9a-methanobenzo[b]oxepinacyclodecaphane-54,55,56,510-tetrayl tetraacetate
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Product Information
| Product Name | Wilfortrine |
|---|---|
| IUPAC Name | (52R,53R,54R,55S,55aR,56R,57R,58S,59S,59aS,510R,8R)-55a-(acetoxymethyl)-57-((furan-3-carbonyl)oxy)-59,8-dihydroxy-52,59,8-trimethyl-2,7-dioxo-53,54,55,55a,56,57,58,59-octahydro-52H-3,6-dioxa-1(3,2)-pyridina-5(2,8)-3,9a-methanobenzo[b]oxepinacyclodecaphane-54,55,56,510-tetrayl tetraacetate |
| MDL No. | - |
| Molecular Formula | C41H47NO20 |
| Molecular Weight | 873.81 |
| SMILES | C[C@@]([C@@]1([C@H](OC(C)=O)[C@]2([H])[C@@](O1)(COC3=O)C)[C@@]([C@@H](OC(C)=O)[C@H]4OC(C5=COC=C5)=O)([C@H](OC(C)=O)[C@@H]2OC(C)=O)COC(C)=O)([C@@]4([H])OC([C@](CCC6=C3C=CC=N6)(C)O)=O)O |
| InChI Key | JOKOHWLSQAZHFX-DQZYHKMLSA-N |
| Synonym | Q15634185 | Wilfortrine | UNII-9MVG0T4LUI | BRN 0078296 | Evonimine, 8-(acetyloxy)-O(sup 2)-deacetyl-8-deoxo-O(sup 2)-(3-furanylcarbonyl)-26-hydroxy-, (8-alpha)- | 4-27-00-06848 (Beilstein Handbook Reference) | DTXSID601045704 | [(1S,3R,18S,19R,20R,21R,22 |
| CAS No. | 37239-48-8 |
| PubChem CID | 73321 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301-H311-H331
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACRJHI759 Molecular Building Block Synthetic Route
Triptonine b
(52R,53R,54R,55S,55aR,56R,57R,58S,59S,59aS,510R,8S)-55a-(Acetoxymethyl)-57-((furan-3-carbonyl)oxy)-59-hydroxy-52,59,8-trimethyl-2,7-dioxo-53,54,55,55a,56,57,58,59-octahydro-52H-3,6-dioxa-1(3,2)-pyridina-5(2,8)-3,9a-methanobenzo[b]oxepinacyclodecaphane-54,55,56,510-tetrayl tetraacetate
Euojaponine d