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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18O10
Molecular Weight 418.3517
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CIMICIFUGIC ACID D

SMILES

c1cc(ccc1C[C@@]([C@@]([H])(C(=O)O)OC(=O)/C(/[H])=C(\[H])/c2ccc(c(c2)O)O)(C(=O)O)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 418.3517
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 07:53:08 UTC 2021
Edited
by admin
on Sat Jun 26 07:53:08 UTC 2021
Record UNII
D2PCW55V6N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMICIFUGIC ACID D
Common 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
BUTANEDIOIC ACID, 3-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-2-HYDROXY-2-((4-HYDROXYPHENYL)METHYL)-, (2R,3S)-
Common Name English
Code System Code Type Description
CAS
219986-51-3
Created by admin on Sat Jun 26 07:53:08 UTC 2021 , Edited by admin on Sat Jun 26 07:53:08 UTC 2021
PRIMARY
PUBCHEM
11742743
Created by admin on Sat Jun 26 07:53:08 UTC 2021 , Edited by admin on Sat Jun 26 07:53:08 UTC 2021
PRIMARY
FDA UNII
D2PCW55V6N
Created by admin on Sat Jun 26 07:53:08 UTC 2021 , Edited by admin on Sat Jun 26 07:53:08 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT