CIMICIFUGIC ACID A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20O11
Molecular Weight	448.3769
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C=CC(\C=C\C(=O)O[C@H](C(O)=O)[C@](O)(CC2=CC(O)=C(O)C=C2)C(O)=O)=C1

InChI

InChIKey=LIJMMUDJSMCVDJ-ZHBFVYIWSA-N

InChI=1S/C21H20O11/c1-31-16-9-11(2-6-14(16)23)4-7-17(25)32-18(19(26)27)21(30,20(28)29)10-12-3-5-13(22)15(24)8-12/h2-9,18,22-24,30H,10H2,1H3,(H,26,27)(H,28,29)/b7-4+/t18-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H20O11
Molecular Weight	448.3769
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 20:23:30 GMT 2025` Edited by `admin` on `Mon Mar 31 20:23:30 GMT 2025`
Record UNII	0S0MJU107Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIMICIFUGA ACID A

Preferred Name

English

CIMICIFUGIC ACID A

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID101347721

Created by admin on Mon Mar 31 20:23:30 GMT 2025 , Edited by admin on Mon Mar 31 20:23:30 GMT 2025

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CAS

205114-65-4

Created by admin on Mon Mar 31 20:23:30 GMT 2025 , Edited by admin on Mon Mar 31 20:23:30 GMT 2025

PRIMARY

FDA UNII

0S0MJU107Z

Created by admin on Mon Mar 31 20:23:30 GMT 2025 , Edited by admin on Mon Mar 31 20:23:30 GMT 2025

PRIMARY

PUBCHEM

6449879

Created by admin on Mon Mar 31 20:23:30 GMT 2025 , Edited by admin on Mon Mar 31 20:23:30 GMT 2025

PRIMARY

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