Account methyl (4aS,6aR,6bS,12aS,14aR,14bR)-11-cyano-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,12,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylate
- Catalog No. :
- ACBNNI262
- CAS No. :
- 305818-40-0
- Molecular Formula :
- C32H45NO4
- Molecular Weight :
- 507.71
IUPAC Name:methyl (4aS,6aR,6bS,12aS,14aR,14bR)-11-cyano-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,12,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylate
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Product Information
| Product Name | methyl (4aS,6aR,6bS,12aS,14aR,14bR)-11-cyano-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,12,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylate |
|---|---|
| IUPAC Name | methyl (4aS,6aR,6bS,12aS,14aR,14bR)-11-cyano-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,12,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylate |
| Molecular Formula | C32H45NO4 |
| Molecular Weight | 507.71 |
| SMILES | COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CC(C#N)=C(O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2 |
| InChI Key | IVZDMJHGZKCMBW-OROHISIGSA-N |
| Synonym | (4aS,6aR,6bS,12aS,14aR,14bR)-Methyl 11-cyano-10-hydroxy-2,2,6a,6b,9,9,12a-heptaMethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,14,14a,14b-octadecahydropicene-4a-carboxylate;Methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,12,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylate;Oleana-2,9(11)-dien-28-oic acid, 2-cyano-3-hydroxy-12-oxo-, methyl ester |
| CAS No. | 305818-40-0 |
Synthetic Route by SureRoute
2. ACBNNI262 Molecular Building Block Synthetic Route
methyl (4aS,6aR,6bS,12aS,14aR,14bR,E)-11-(hydroxymethylene)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicene-4a(2H)-carboxylate
Bardoxolone methyl
methyl (4aS,6aR,6bS,12aS,14aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicene-4a(2H)-carboxylate