Products 845625-44-7

CAS 845625-44-7 appears in our catalog under these names: DMDNA31, dmDNA31, 98.64%, dmDNA31, 99.73%. Offered by: Biosynth, MedChemExpress, Chemat. Available pack sizes: 2mg, 1mg, 5mg, 25mg, 10mg, 1 mg, 5 mg.

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

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-30-[4-(dimethylamino)piperidin-1-yl]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate (CAS 845625-44-7) is a chemical compound with the molecular formula C50H62N4O13 and a molecular weight of 927.0 g/mol. IUPAC name: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-30-[4-(dimethylamino)piperidin-1-yl]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate. InChIKey: GBSDCXVMKJSZDN-AWHPPKCISA-N.

Identity
Molecular formulaC50H62N4O13
Molecular weight927.0 g/mol
IUPAC name[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-30-[4-(dimethylamino)piperidin-1-yl]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
InChIKeyGBSDCXVMKJSZDN-AWHPPKCISA-N
SMILESC[C@H]1/C=C/C=C(\C(=O)NC2=C3C(=C4C(=C(C(=C5C4=C([C@](O5)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)C)O)C2=O)N=C6C(=CC(=CC6=O)N7CCC(CC7)N(C)C)O3)/C

Computed by PubChem (NCBI)