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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20O10
Molecular Weight 432.3783
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CIMICIFUGIC ACID E

SMILES

COc1cc(ccc1O)/C(/[H])=C(\[H])/C(=O)O[C@]([H])(C(=O)O)[C@](Cc2ccc(cc2)O)(C(=O)O)O

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 432.3783
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 Sat Jun 26 15:13:23 UTC 2021
Edited
by admin
on Sat Jun 26 15:13:23 UTC 2021
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 Sat Jun 26 15:13:23 UTC 2021 , Edited by admin on Sat Jun 26 15:13:23 UTC 2021
PRIMARY
FDA UNII
R8K7J9Q7VA
Created by admin on Sat Jun 26 15:13:23 UTC 2021 , Edited by admin on Sat Jun 26 15:13:23 UTC 2021
PRIMARY
CAS
219986-67-1
Created by admin on Sat Jun 26 15:13:23 UTC 2021 , Edited by admin on Sat Jun 26 15:13:23 UTC 2021
PRIMARY
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