4-O-(3'-O-.ALPHA.-D-GLUCOPYRANOSYL)-CAFFEOYL QUINIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28O14
Molecular Weight	516.4493
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-O-(3'-O-.ALPHA.-D-GLUCOPYRANOSYL)-CAFFEOYL QUINIC ACID

Structure Search

SMILES

OC[C@H]1O[C@H](OC2=C(O)C=CC(\C=C\C(=O)O[C@H]3[C@H](O)C[C@@](O)(C[C@H]3O)C(O)=O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=DVSKLQXWNBGVPV-UHFXDIRSSA-N

InChI=1S/C22H28O14/c23-8-14-16(28)17(29)18(30)20(35-14)34-13-5-9(1-3-10(13)24)2-4-15(27)36-19-11(25)6-22(33,21(31)32)7-12(19)26/h1-5,11-12,14,16-20,23-26,28-30,33H,6-8H2,(H,31,32)/b4-2+/t11-,12-,14-,16-,17+,18-,19-,20+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H28O14
Molecular Weight	516.4493
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:12:22 GMT 2023` Edited by `admin` on `Sat Dec 16 01:12:22 GMT 2023`
Record UNII	FA81R6863C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-O-(3'-O-.ALPHA.-D-GLUCOPYRANOSYL)-CAFFEOYL QUINIC ACID

Common Name

English

CYCLOHEXANECARBOXYLIC ACID, 4-(((2E)-3-(3-(.ALPHA.-D-GLUCOPYRANOSYLOXY)-4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,3,5-TRIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

90479638

Created by admin on Sat Dec 16 01:12:22 GMT 2023 , Edited by admin on Sat Dec 16 01:12:22 GMT 2023

PRIMARY

CAS

1401352-63-3

Created by admin on Sat Dec 16 01:12:22 GMT 2023 , Edited by admin on Sat Dec 16 01:12:22 GMT 2023

PRIMARY

FDA UNII

FA81R6863C

Created by admin on Sat Dec 16 01:12:22 GMT 2023 , Edited by admin on Sat Dec 16 01:12:22 GMT 2023

PRIMARY

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MORINGA OLEIFERA LEAF

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

The leaves of Moringa oleifera were extracted with MeOH at room temperature. The MeOH extract was partitioned successively between EtOAc, n-BuOH, and water. The water-soluble fraction was repeatedly chromatographed over MCI gel CHP20P, Sephadex LH-20, and YMC ODSA to yield the new compound.