Products 80994-06-5

CAS 80994-06-5 is the registry number for Dotriacolide. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

[(2R,4S,16R,18R,30E)-32-oxo-4,18-disulfooxy-2-[(8S)-8-sulfooxynonyl]-1-oxacyclodotriacont-30-en-16-yl] hydrogen sulfate (CAS 80994-06-5) is a chemical compound with the molecular formula C40H76O18S4 and a molecular weight of 973.3 g/mol. IUPAC name: [(2R,4S,16R,18R,30E)-32-oxo-4,18-disulfooxy-2-[(8S)-8-sulfooxynonyl]-1-oxacyclodotriacont-30-en-16-yl] hydrogen sulfate. InChIKey: YIIKXRWDWWBASM-GVSLLQDTSA-N.

Identity
Molecular formulaC40H76O18S4
Molecular weight973.3 g/mol
IUPAC name[(2R,4S,16R,18R,30E)-32-oxo-4,18-disulfooxy-2-[(8S)-8-sulfooxynonyl]-1-oxacyclodotriacont-30-en-16-yl] hydrogen sulfate
InChIKeyYIIKXRWDWWBASM-GVSLLQDTSA-N
SMILESC[C@@H](CCCCCCC[C@@H]1C[C@H](CCCCCCCCCCC[C@H](C[C@@H](CCCCCCCCCCC/C=C/C(=O)O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Computed by PubChem (NCBI)