chempirical

Epigallocatechin

C15H14O7CAS 970-74-1306.27 g/mol

Open in Covalent MOL file
HOOHOOHOHHOOH
AlcoholEtherPhenol

Properties

Molecular formula
C15H14O7
Molar mass
306.27 g/mol
Exact mass
306.0740 Da
Melting point
218 °C
logP
1.25Crippen estimate
Polar surface area
130.6 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
1
Stereocentres
R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
970-74-1
SMILES
Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2
InChIKey
XMOCLSLCDHWDHP-IUODEOHRSA-N
InChI
InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R,3R)-
  • 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-cis)-
  • Epigallocatechol
  • Gallocatechol, l-
  • (2R,3R)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
  • (-)-Epigallocatechin
  • (-)-Epigallocatechol
  • (-)-3,3′,4′,5,5′,7-Flavanhexol
  • l-Epigallocatechin
  • l-Epigallocatechol
  • 3,3′,4′,5,5′,7-Flavanhexol
  • Factor C2 (antiscurvy)
  • Antiscurvy factor C2
  • 1-Epi-3′,4′,5′,5,7-Pentahydroxy-3-flavanol
  • (-)-Epi-Gallocatechin
  • Epi-Gallocatechin
  • NSC 674039
  • EGC
  • Sunphenon EGC
  • Galloepicatechin
  • (2R,3R)-2-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxychroman

Work with Epigallocatechin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Gallocatechol970-73-0Diastereomer (-)-Gallocatechin3371-27-5Diastereomer

Similar compounds

Catechin154-23-474 % similar (-)-Catechol18829-70-474 % similar (+)-Epicatechin35323-91-274 % similar Epicatechin490-46-074 % similar Catechin7295-85-474 % similar (+)-Catechin hydrate225937-10-070 % similar (+)-Catechin hydrate88191-48-470 % similar Theaflavin4670-05-769 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook