1,4-DICAFFEOYLQUINIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H24O12
Molecular Weight	516.4509
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1C[C@](C[C@@H](O)[C@H]1OC(=O)\C=C\C2=CC=C(O)C(O)=C2)(OC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)=O

InChI

InChIKey=IYXQRCXQQWUFQV-PSEXTPKNSA-N

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H24O12
Molecular Weight	516.4509
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:01:08 GMT 2025` Edited by `admin` on `Mon Mar 31 22:01:08 GMT 2025`
Record UNII	50048OZ68I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-91529

Preferred Name

English

1,4-DICAFFEOYLQUINIC ACID

Common Name

English

1,4-DICAFFEYLQUINIC ACID

Common Name

English

1,4-DICQA

Common Name

English

CYCLOHEXANECARBOXYLIC ACID, 1,4-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-3,5-DIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-

Common Name

English

Code System Code Type Description

FDA UNII

50048OZ68I