CIMICIFUGIC ACID D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18O10
Molecular Weight	418.3509
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)[C@@H](OC(=O)\C=C\C1=CC(O)=C(O)C=C1)[C@](O)(CC2=CC=C(O)C=C2)C(O)=O

InChI

InChIKey=MTGTYFYLZVUKQG-ZUVWSUMTSA-N

InChI=1S/C20H18O10/c21-13-5-1-12(2-6-13)10-20(29,19(27)28)17(18(25)26)30-16(24)8-4-11-3-7-14(22)15(23)9-11/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H18O10
Molecular Weight	418.3509
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:42:49 GMT 2025` Edited by `admin` on `Mon Mar 31 22:42:49 GMT 2025`
Record UNII	D2PCW55V6N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIMICIFUGIC ACID D

Common Name

English

BUTANEDIOIC ACID, 3-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-2-HYDROXY-2-((4-HYDROXYPHENYL)METHYL)-, (2R,3S)-

Preferred Name

English

BUTANEDIOIC ACID, 3-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-2-HYDROXY-2-((4-HYDROXYPHENYL)METHYL)-, (2R,3S)-

Systematic Name

English

Code System Code Type Description

CAS

219986-51-3

Created by admin on Mon Mar 31 22:42:49 GMT 2025 , Edited by admin on Mon Mar 31 22:42:49 GMT 2025

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PUBCHEM

11742743

Created by admin on Mon Mar 31 22:42:49 GMT 2025 , Edited by admin on Mon Mar 31 22:42:49 GMT 2025

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EPA CompTox

DTXSID901353231

Created by admin on Mon Mar 31 22:42:49 GMT 2025 , Edited by admin on Mon Mar 31 22:42:49 GMT 2025

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FDA UNII

D2PCW55V6N

Created by admin on Mon Mar 31 22:42:49 GMT 2025 , Edited by admin on Mon Mar 31 22:42:49 GMT 2025

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