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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20O10
Molecular Weight 432.3775
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CIMICIFUGIC ACID E

SMILES

COC1=CC(\C=C\C(=O)O[C@H](C(O)=O)[C@](O)(CC2=CC=C(O)C=C2)C(O)=O)=CC=C1O

InChI

InChIKey=CAIGUMKGQLGFBR-PZTMCFHLSA-N
InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H20O10
Molecular Weight 432.3775
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 Fri Dec 15 20:36:43 UTC 2023
Edited
by admin
on Fri Dec 15 20:36:43 UTC 2023
Record UNII
R8K7J9Q7VA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMICIFUGIC ACID E
Common Name English
2-E-FERULOYLPISCIDIC ACID
Common Name English
BUTANEDIOIC ACID, 2-HYDROXY-3-(((2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-2-((4-HYDROXYPHENYL)METHYL)-, (2R,3S)-
Common Name English
CIMICIFUGIC ACID E, (+)-
Common Name English
BUTANEDIOIC ACID, 2-HYDROXY-3-(((2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-2-((4-HYDROXYPHENYL)METHYL)-, (2R,3S)-
Common Name English
Code System Code Type Description
PUBCHEM
10002902
Created by admin on Fri Dec 15 20:36:43 UTC 2023 , Edited by admin on Fri Dec 15 20:36:43 UTC 2023
PRIMARY
FDA UNII
R8K7J9Q7VA
Created by admin on Fri Dec 15 20:36:43 UTC 2023 , Edited by admin on Fri Dec 15 20:36:43 UTC 2023
PRIMARY
CAS
219986-67-1
Created by admin on Fri Dec 15 20:36:43 UTC 2023 , Edited by admin on Fri Dec 15 20:36:43 UTC 2023
PRIMARY
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