CAS 2920064-17-9 appears in our catalog under these names: STING–IN–5, STING-IN-5, 99.89%, STING-IN-5. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 1mg, 5mg, 25 mg, 50 mg, 100 mg, 10 mg, 5 mg.
Benzyl (2E)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-11-hydroxy-4,8,10,14-tetramethyl-3-[3-[[3-oxo-3-(prop-2-enoxyamino)propyl]disulfanyl]propanoyloxy]-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoate (CAS 2920064-17-9) is a chemical compound with the molecular formula C47H67NO9S2 and a molecular weight of 854.2 g/mol. IUPAC name: benzyl (2E)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-11-hydroxy-4,8,10,14-tetramethyl-3-[3-[[3-oxo-3-(prop-2-enoxyamino)propyl]disulfanyl]propanoyloxy]-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoate. InChIKey: UBXHZHGRHRYYRQ-KBRRQLEJSA-N.
| Molecular formula | C47H67NO9S2 |
|---|---|
| Molecular weight | 854.2 g/mol |
| IUPAC name | benzyl (2E)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-11-hydroxy-4,8,10,14-tetramethyl-3-[3-[[3-oxo-3-(prop-2-enoxyamino)propyl]disulfanyl]propanoyloxy]-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoate |
| InChIKey | UBXHZHGRHRYYRQ-KBRRQLEJSA-N |
| SMILES | C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1OC(=O)CCSSCCC(=O)NOCC=C)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(\CCC=C(C)C)/C(=O)OCC5=CC=CC=C5)OC(=O)C)C)O)C |
Computed by PubChem (NCBI)