CAS 60796-70-5 is the registry number for Gnidimacrin. Offered by: Chemat Brand, MedChemExpress. Available pack sizes: on request, Get quote.
[(1R,2S,4S,5R,6S,7S,9R,10S,11S,12S,13S,14S,15R,22R,25R)-12-benzoyloxy-10,11,22-trihydroxy-9-(hydroxymethyl)-13,15-dimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-2-yl]methyl benzoate (CAS 60796-70-5) is a chemical compound with the molecular formula C44H54O12 and a molecular weight of 774.9 g/mol. IUPAC name: [(1R,2S,4S,5R,6S,7S,9R,10S,11S,12S,13S,14S,15R,22R,25R)-12-benzoyloxy-10,11,22-trihydroxy-9-(hydroxymethyl)-13,15-dimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-2-yl]methyl benzoate. InChIKey: SSXCVTWCXHGTLK-HPSSUOODSA-N.
| Molecular formula | C44H54O12 |
|---|---|
| Molecular weight | 774.9 g/mol |
| IUPAC name | [(1R,2S,4S,5R,6S,7S,9R,10S,11S,12S,13S,14S,15R,22R,25R)-12-benzoyloxy-10,11,22-trihydroxy-9-(hydroxymethyl)-13,15-dimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-2-yl]methyl benzoate |
| InChIKey | SSXCVTWCXHGTLK-HPSSUOODSA-N |
| SMILES | C[C@@H]1CCCCCC[C@H](C23O[C@@H]4[C@@H]5[C@H]6[C@](O6)([C@H]([C@]7([C@@H]([C@@H]1[C@@H]([C@@H]7OC(=O)C8=CC=CC=C8)C)[C@@]5(O2)[C@@H](C[C@]4(O3)C(=C)C)COC(=O)C9=CC=CC=C9)O)O)CO)O |
Computed by PubChem (NCBI)