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Chemical structure of Isotheaflavin

GC60954

Isotheaflavin

Also known as 3,4,6-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

Isotheaflavin is one of antioxidant polyphenols in black tea

ChemicalCAS31701-93-6MW564.49FormulaC29H24O12
CAS number
31701-93-6
Molecular weight
564.49
Formula
C29H24O12
Solubility
DMSO ： 100 mg/mL (177·15 mM; Need ultrasonic)
InChIKey
IPMYMEWFZKHGAX-XDPYCTQPSA-N
Catalogue number
GC60954
Brand
GLPBIO
Computed properties PubChem CID 154729469 · XLogP 2.4 · TPSA 218 Ų · H-bond donors 9
XLogP
2.4
TPSA
218 Ų
H-bond donors
9
H-bond acceptors
12
Rotatable bonds
2
Heavy atoms
41

SMILES C1[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 descriptors from PubChem (CID 154729469), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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