Products 853997-31-6

CAS 853997-31-6 is the registry number for Leontopodic acid A. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

(2S,3S,4S,5R)-2,3,4-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-5-[(3S)-3-hydroxybutanoyl]oxyhexanedioic acid (CAS 853997-31-6) is a chemical compound with the molecular formula C37H34O19 and a molecular weight of 782.7 g/mol. IUPAC name: (2S,3S,4S,5R)-2,3,4-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-5-[(3S)-3-hydroxybutanoyl]oxyhexanedioic acid. InChIKey: FJCOTRVRFQSFDP-YVFVATBNSA-N.

Identity
Molecular formulaC37H34O19
Molecular weight782.7 g/mol
IUPAC name(2S,3S,4S,5R)-2,3,4-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-5-[(3S)-3-hydroxybutanoyl]oxyhexanedioic acid
InChIKeyFJCOTRVRFQSFDP-YVFVATBNSA-N
SMILESC[C@@H](CC(=O)O[C@H]([C@H]([C@@H]([C@@H](C(=O)O)OC(=O)/C=C/C1=CC(=C(C=C1)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)C(=O)O)O

Computed by PubChem (NCBI)