Account Sapintoxin A
- Catalog No. :
- ACAEVR266
- CAS No. :
- 79083-69-5
- Molecular Formula :
- C30H37NO7
- Molecular Weight :
- 523.63
IUPAC Name:(1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9a-acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 2-(methylamino)benzoate
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Product Information
| Product Name | Sapintoxin A |
|---|---|
| IUPAC Name | (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9a-acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 2-(methylamino)benzoate |
| Molecular Formula | C30H37NO7 |
| Molecular Weight | 523.63 |
| SMILES | O=C(O[C@H]([C@H]1C)[C@]2(OC(C)=O)[C@@]([C@@](C=C(CO)C[C@]34[H])([H])[C@@]1(O)[C@]4([H])C=C(C)C3=O)([H])C2(C)C)C5=CC=CC=C5NC |
| InChI Key | KBSBUGUKMIUBEE-WQYXQGCUSA-N |
| Synonym | sapintoxin A;Benzoic acid, 2-(methylamino)-, (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester |
| CAS No. | 79083-69-5 |
Synthetic Route by SureRoute
2. ACAEVR266 Molecular Building Block Synthetic Route
6-acetoxy-5a-hydroxy-1,1,4,7,9-pentamethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-5-yl benzoate
(2aR,4S,4aR,6R,11S,12S,12aR,12bS)-12b-acetoxy-4,6,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5,9-dioxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
(2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate