Products 129602-22-8

CAS 129602-22-8 is the registry number for Juncin E. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

[(1S,2S,3R,4R,7R,8S,10Z,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-12-yl] acetate (CAS 129602-22-8) is a chemical compound with the molecular formula C30H37ClO14 and a molecular weight of 657.1 g/mol. IUPAC name: [(1S,2S,3R,4R,7R,8S,10Z,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-12-yl] acetate. InChIKey: CMKNGEIJCJJGAQ-YHDFZVRWSA-N.

Identity
Molecular formulaC30H37ClO14
Molecular weight657.1 g/mol
IUPAC name[(1S,2S,3R,4R,7R,8S,10Z,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-12-yl] acetate
InChIKeyCMKNGEIJCJJGAQ-YHDFZVRWSA-N
SMILESC[C@H]1C(=O)O[C@@H]2[C@@]1([C@H]([C@@H]3[C@@]([C@H](/C=C\C(=C)[C@@H]2Cl)OC(=O)C)([C@H]([C@H]([C@H](C34CO4)OC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)O

Computed by PubChem (NCBI)

Synonyms: Juncin E, (-)-Juncin E