CAS 1401618-51-6 appears in our catalog under these names: Negundonorin A, Negundonorin A. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 1mg, 50mg, 5mg, 10mg, 25mg, Get quote.
(1R,2R,4aS,6aS,6aS,6bR,12aS,14bS)-1,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-10-oxo-2,3,4,5,6,6a,7,8,13,14b-decahydropicene-4a-carboxylic acid (CAS 1401618-51-6) is a chemical compound with the molecular formula C29H40O5 and a molecular weight of 468.6 g/mol. IUPAC name: (1R,2R,4aS,6aS,6aS,6bR,12aS,14bS)-1,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-10-oxo-2,3,4,5,6,6a,7,8,13,14b-decahydropicene-4a-carboxylic acid. InChIKey: HHOKYTBXHJFJOV-PSMUSXLRSA-N.
| Molecular formula | C29H40O5 |
|---|---|
| Molecular weight | 468.6 g/mol |
| IUPAC name | (1R,2R,4aS,6aS,6aS,6bR,12aS,14bS)-1,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-10-oxo-2,3,4,5,6,6a,7,8,13,14b-decahydropicene-4a-carboxylic acid |
| InChIKey | HHOKYTBXHJFJOV-PSMUSXLRSA-N |
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5=C(C(=O)C(=C[C@]45C)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O |
Computed by PubChem (NCBI)