Products 152044-54-7

CAS 152044-54-7 appears in our catalog under these names: Epothilone b, 95%, Patupilone (Epothilone B), Epothilone B (synthetic), Epothilone B/ 99.54% (existing batch purity), Epothilone B (EPO906, Patupilone). Offered by: Combi-blocks, Chemat Brand, TRC, TargetMol, GLPBio. Available pack sizes: 5mg, 25mg, on request, 10mg, 1mg, 2mg, 50mg, 100mg.

Structural formula: {0} (CAS {1})

(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione (CAS 152044-54-7) is a chemical compound with the molecular formula C27H41NO6S and a molecular weight of 507.7 g/mol. IUPAC name: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione. InChIKey: QXRSDHAAWVKZLJ-PVYNADRNSA-N.

Identity
Molecular formulaC27H41NO6S
Molecular weight507.7 g/mol
IUPAC name(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
InChIKeyQXRSDHAAWVKZLJ-PVYNADRNSA-N
SMILESC[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C

Computed by PubChem (NCBI)