4,5-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@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1OC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)=O

InChI

InChIKey=UFCLZKMFXSILNL-PSEXTPKNSA-N

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/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 `Sat Dec 16 08:54:07 UTC 2023` Edited by `admin` on `Sat Dec 16 08:54:07 UTC 2023`
Record UNII	45777W94HK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,5-DICAFFEOYLQUINIC ACID

Common Name

English

4,5-DICQA

Common Name

English

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

Systematic Name

English

4,5-DI-O-CAFFEOYLQUINIC ACID

Common Name

English

Code System Code Type Description

CAS

14534-61-3

Created by admin on Sat Dec 16 08:54:07 UTC 2023 , Edited by admin on Sat Dec 16 08:54:07 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

5281780

Created by admin on Sat Dec 16 08:54:07 UTC 2023 , Edited by admin on Sat Dec 16 08:54:07 UTC 2023

PRIMARY

FDA UNII

45777W94HK

Created by admin on Sat Dec 16 08:54:07 UTC 2023 , Edited by admin on Sat Dec 16 08:54:07 UTC 2023

PRIMARY

CAS

89886-31-7

Created by admin on Sat Dec 16 08:54:07 UTC 2023 , Edited by admin on Sat Dec 16 08:54:07 UTC 2023

PRIMARY

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Comments:

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