CAS 172486-22-5 is the registry number for 9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A. Offered by: Biosynth, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 50mg, 25mg, Get quote.
[(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-6,10-diacetyloxy-2,4,8-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-5-yl] benzoate (CAS 172486-22-5) is a chemical compound with the molecular formula C31H40O10 and a molecular weight of 572.6 g/mol. IUPAC name: [(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-6,10-diacetyloxy-2,4,8-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-5-yl] benzoate. InChIKey: ZJRNRUMUBVLZKF-SRXXEXFGSA-N.
| Molecular formula | C31H40O10 |
|---|---|
| Molecular weight | 572.6 g/mol |
| IUPAC name | [(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-6,10-diacetyloxy-2,4,8-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-5-yl] benzoate |
| InChIKey | ZJRNRUMUBVLZKF-SRXXEXFGSA-N |
| SMILES | CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3[C@@H]([C@@]2(C[C@@H]1O)C(C)(C)O)OC(=O)C)O)OC(=O)C)C)OC(=O)C4=CC=CC=C4)O |
Computed by PubChem (NCBI)