Epigallocatechin gallate

C₂₂H₁₈O₁₁CAS 989-51-5458.38 g/mol

Open in Covalent MOL file

Alcohol Ester

Properties

Molecular formula: C₂₂H₁₈O₁₁
Molar mass: 458.38 g/mol
Exact mass: 458.0849 Da
Melting point: 217 °C
logP: 2.23Crippen estimate
Polar surface area: 197.4 Å²
H-bond donors / acceptors: 8 / 11
Rotatable bonds: 3

Identifiers

CAS number

989-51-5

SMILES

O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

InChIKey

WMBWREPUVVBILR-WIYYLYMNSA-N

InChI

InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

25 names · show all

Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester
Epigallocatechol, 3-gallate, (-)-
Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-
Epigallocatechol, 3-gallate
Epigallocatechol, gallate
Gallic acid, 3-ester with epigallocatechol, (-)-
(-)-Epigallocatechin gallate
(-)-Epigallocatechol gallate
(-)-Epigallocatechin 3-gallate
Epigallocatechin 3-gallate
3-O-Galloyl-(-)-epigallocatechin
(-)-Epigallocatechin 3-O-gallate
L-Epigallocatechin gallate
Epi-Gallocatechin 3-O-gallate
(-)-Epi-Gallocatechin 3-O-gallate
NVP-XAA 723
Epigallocatechin 3-O-gallate
Epigallocatechin-3-monogallate
Teavigo
PF-EGCg 90
EGCG
Epi-Gallocatechin gallate
Theliokeep
Teafuran 90S
EGCg-OP

Work with Epigallocatechin gallate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

(-)-Gallocatechin gallate4233-96-9

Elsewhere

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