Chebulinic acid

Chebulinic acid: Chebulinic acid

Other names

1,3,6-Tri-O-galloyl-2,4-chebuloyl-β-D-glucopyranoside^[1]

Identifiers

CAS number 18942-26-2^Y

PubChem 12401

ChEMBL CHEMBL501154^N

Jmol-3D images Image 1

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

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

Properties

Molecular formula C₄₁H₃₂O₂₇

Molar mass 956.67 g/mol

Exact mass 956.113096 u

N acid (verify) (what is: Y/N?)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

Infobox references

Chebulinic acid is an ellagitannin found in the seeds of Euphoria longana and in the fruits of Terminalia chebula.^[2]

References

^ 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. Karel D. Klika, Ammar Saleem, Jari Sinkkonen, Marja Kähkönen, Jyrki Loponen, Petri Tähtinen and Kalevi Pihlaja, ARKIVOC 2004 (vii) 83-105

^ Preparative isolation of hydrolysable tannins chebulagic acid and chebulinic acid from Terminalia chebula by high-speed counter-current chromatography. Quanbin Han, Jingzheng Song, Chunfeng Qiao, Lina Wong and Hongxi Xu, J. Sep. Sci. 2006, 29, pp. 1653–1657, doi:10.1002/jssc.20060008

v · hydrolysable tannins

Carbohydrates
Glucose | Quinic acid | Shikimic acid

Types
Ellagitannins | Gallotannins

unclassified
Chebulagic acid | Chebulinic acid | Cinchotannic acid | Combreglutinin | Flavogallonic acid | Flavogallonic acid dilactone | Geraniin | Granatin B | Hipophaenin D | Isostrictinin | Kinotannic acid | Stachyurin | Stenophyllanin A | Strictinin | Tannic acid | Tercatin | Tergallagin | Theograndins I and II | Vescalin | Valoneic acid | Valoneic acid dilactone | Vescavaloneic acid/Castavaloneic acid

Other
Tannin sources | Tannate

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Chebulinic acid

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Chebulinic acid

Other names 1,3,6-Tri-O-galloyl-2,4-chebuloyl-β-D-glucopyranoside^[1]
Identifiers
CAS number	18942-26-2^Y
PubChem	12401
ChEMBL	CHEMBL501154^N
Jmol-3D images	Image 1
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
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
Properties
Molecular formula	C₄₁H₃₂O₂₇
Molar mass	956.67 g/mol
Exact mass	956.113096 u
N acid (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

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Chebulinic acid

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