Catalog Number:
AG002J8I
Chemical Name:
1H-Imidazole-4-sulfonic acid, 1-methyl-, 4-[[6-cyclohexyl-5,6-dihydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2H-pyran-3-yl]thio]-5-(1,1-dimethylethyl)-2-methylphenyl ester
CAS Number:
207736-16-1
Molecular Formula:
C34H42N2O7S2
Molecular Weight:
654.8365
IUPAC Name:
[5-tert-butyl-4-[[2-cyclohexyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-6-oxo-3H-pyran-5-yl]sulfanyl]-2-methylphenyl] 1-methylimidazole-4-sulfonate
InChI:
InChI=1S/C34H42N2O7S2/c1-22-17-29(26(33(2,3)4)18-28(22)43-45(40,41)30-20-36(5)21-35-30)44-31-27(38)19-34(42-32(31)39,24-9-7-6-8-10-24)16-15-23-11-13-25(37)14-12-23/h11-14,17-18,20-21,24,37-38H,6-10,15-16,19H2,1-5H3
InChI Key:
AGWURPBBVUXVBD-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CCC1(CC(=C(C(=O)O1)Sc1cc(C)c(cc1C(C)(C)C)OS(=O)(=O)c1ncn(c1)C)O)C1CCCCC1