Chebulinic acid

Chebulinic acid is an ellagitannin found in the seeds of Euphoria longana, in the fruits of Terminalia chebula[2] or in the leaves of T. macroptera.

Chebulinic acid

Names
Other names 1,3,6-Tri-O-galloyl-2,4-chebuloyl-β-D-glucopyranoside[1]
Identifiers
CAS Number	18942-26-2
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL501154
PubChem CID	12401
UNII	HVC8VQJ6EK
CompTox Dashboard (EPA)	DTXSID30940460
InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49, 50)/t14-,22+,24-,30-,31+,33-,34+,41-/m0/s1 Key: YGVHOSGNOYKRIH-FJPMMHPYSA-N
SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
Properties
Chemical formula	C41H32O27
Molar mass	956.680 g·mol^−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

References

1. Karel D. Klika, Ammar Saleem, Jari Sinkkonen, Marja Kähkönen, Jyrki Loponen, Petri Tähtinen and Kalevi Pihlaja (2004). "The structural and conformational analyses and antioxidant activities of chebulinic acid and its thrice-hydrolyzed derivative, 2,4-chebuloyl-β-D-glucopyranoside, isolated from the fruit of Terminalia chebula". Arkivoc. vii: 83–105.CS1 maint: multiple names: authors list (link)
2. Han, Quanbin; Song, Jingzheng; Qiao, Chunfeng; Wong, Lina; Xu, Hongxi (2006). "Preparative isolation of hydrolysable tannins chebulagic acid and chebulinic acid from Terminalia chebula by high-speed counter-current chromatography". Journal of Separation Science. 29 (11): 1653–1657. doi:10.1002/jssc.200600089. PMID 16922284.