epigallocatechin gallate 3-palmitate (Q27236525)

UNII-0A729294LS (English)

13 October 2016

chemical formula

C₃₈H₄₈O₁₂

1 reference

UNII-0A729294LS (English)

13 October 2016

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC(=CC(=C1O)O)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C(=C4)O)O)O)O)O

1 reference

UNII-0A729294LS (English)

13 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC(=CC(=C1O)O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C(=C4)O)O)O)O)O

1 reference

UNII-0A729294LS (English)

InChI=1S/C38H48O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-34(44)48-32-19-24(18-30(43)36(32)46)38(47)50-33-22-26-27(40)20-25(39)21-31(26)49-37(33)23-16-28(41)35(45)29(42)17-23/h16-21,33,37,39-43,45-46H,2-15,22H2,1H3/t33-,37-/m1/s1

13 October 2016

Identifiers

InChI

1 reference

UNII-0A729294LS (English)

LUGXPIAYYJFLBB-PZSMLTKBSA-N

13 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-0A729294LS (English)

13 October 2016

1 reference

UNII

0A729294LS

epigallocatechin gallate 3-palmitate (English)

13 October 2016

1 reference

(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4-dihydroxy-5-(palmitoyloxy)benzoate (English)

13 October 2016

2 references

UNII-0A729294LS (English)

matched by identifier from

13 October 2016

InChIKey

LUGXPIAYYJFLBB-PZSMLTKBSA-N

1 reference

2 references

Global Substance Registration System

UNII

0A729294LS

epigallocatechin gallate 3-palmitate (English)