Products 31701-93-6

CAS 31701-93-6 appears in our catalog under these names: Isotheaflavin, Isotheaflavin, 99.36%, ISOTHEAFLAVIN, 99.28%. Offered by: GLPBio, Biosynth, MedChemExpress, Chemat. Available pack sizes: 1mg, 25mg, 10mg, 50mg, 1 mg.

Isotheaflavin
GLPBio, Biosynth
  • size: 1mg, 25mg, 10mg, 50mg
  • Variants: 4
from 1256.99
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Isotheaflavin, 99.36%
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 1081.31
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ISOTHEAFLAVIN, 99.28%
Chemat
  • size: 1mg
  • Variants: 1
from 2618.00
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Structural formula: {0} (CAS {1})

Isotheaflavin is a catechin.

Source: ChEBI

Identity
Molecular formulaC29H24O12
Molecular weight564.5 g/mol
IUPAC name3,4,6-trihydroxy-8-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-5-one
InChIKeyIPMYMEWFZKHGAX-XDPYCTQPSA-N
SMILESC1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O

Computed by PubChem (NCBI)

Synonyms: Isotheaflavin
Related forms of this compound
3,4,6-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-5-one C29H24O12
Isomers (same molecular formula)
[(2S,3R,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate C29H24O12