Products 849777-61-3

CAS 849777-61-3 appears in our catalog under these names: Erigoster B, Erigoster B. Offered by: Chemat Brand, GLPBio, Biosynth. Available pack sizes: on request, 5mg, 10mg, 25mg, 50mg.

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

(1R,2R,3S,5R,7S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-2-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid (CAS 849777-61-3) is a chemical compound with the molecular formula C26H24O13 and a molecular weight of 544.5 g/mol. IUPAC name: (1R,2R,3S,5R,7S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-2-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid. InChIKey: NIILNOCOQHUXGJ-RHASTKNUSA-N.

Identity
Molecular formulaC26H24O13
Molecular weight544.5 g/mol
IUPAC name(1R,2R,3S,5R,7S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-2-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
InChIKeyNIILNOCOQHUXGJ-RHASTKNUSA-N
SMILESC1[C@@H]([C@H]([C@@H]2[C@@H](O[C@]1(O2)C(=O)O)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O

Computed by PubChem (NCBI)