Products 141973-41-3

CAS 141973-41-3 appears in our catalog under these names: 14-Deoxy-11,12-didehydroandrographiside, 14-Deoxy-11,12-didehydroandrographiside, ≥96%. Offered by: Biosynth, MedChemExpress, Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg, Get quote.

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

4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one (CAS 141973-41-3) is a chemical compound with the molecular formula C26H38O9 and a molecular weight of 494.6 g/mol. IUPAC name: 4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one. InChIKey: MWGVWTQBNFFGTG-XCMZMCRNSA-N.

Identity
Molecular formulaC26H38O9
Molecular weight494.6 g/mol
IUPAC name4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one
InChIKeyMWGVWTQBNFFGTG-XCMZMCRNSA-N
SMILESC[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

Computed by PubChem (NCBI)