Products 166833-80-3

CAS 166833-80-3 is the registry number for Chebulanin. Offered by: Biosynth. Available pack sizes: 10mg, 25mg, 50mg.

Chebulanin
Biosynth
  • size: 10mg, 25mg, 50mg
  • Variants: 3
View product
Structural formula: {0} (CAS {1})

2-[(4R,5S,7R,8S,11S,12S,13S,21S)-13,17,18,21-tetrahydroxy-7-(hydroxymethyl)-2,10,14-trioxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid (CAS 166833-80-3) is a chemical compound with the molecular formula C27H24O19 and a molecular weight of 652.5 g/mol. IUPAC name: 2-[(4R,5S,7R,8S,11S,12S,13S,21S)-13,17,18,21-tetrahydroxy-7-(hydroxymethyl)-2,10,14-trioxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid. InChIKey: HPQIRFXIDGVWBA-FXQVFZSJSA-N.

Identity
Molecular formulaC27H24O19
Molecular weight652.5 g/mol
IUPAC name2-[(4R,5S,7R,8S,11S,12S,13S,21S)-13,17,18,21-tetrahydroxy-7-(hydroxymethyl)-2,10,14-trioxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid
InChIKeyHPQIRFXIDGVWBA-FXQVFZSJSA-N
SMILESC1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@H]3[C@H]([C@@H]([C@H](O2)CO)OC(=O)[C@H]([C@@H]4[C@@H](C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O)CC(=O)O)O

Computed by PubChem (NCBI)

Synonyms: chebulanin, Terminalic acid