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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22O6
Molecular Weight 346.3744
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYNAROPICRIN

SMILES

[H][C@@]12C[C@H](O)C(=C)[C@]1([H])[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@H](CC2=C)OC(=O)C(=C)CO

InChI

InChIKey=KHSCYOFDKADJDJ-NQLMQOPMSA-N
InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H22O6
Molecular Weight 346.3744
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:38:54 UTC 2023
Edited
by admin
on Fri Dec 15 20:38:54 UTC 2023
Record UNII
M9233789I9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYNAROPICRIN
Common Name English
2-PROPENOIC ACID, 2-(HYDROXYMETHYL)-, (3AR,4S,6AR,8S,9AR,9BR)-DODECAHYDRO-8-HYDROXY-3,6,9-TRIS(METHYLENE)-2-OXOAZULENO(4,5-B)FURAN-4-YL ESTER
Common Name English
CYNAROPIKRIN
Common Name English
2-PROPENOIC ACID, 2-(HYDROXYMETHYL)-, DODECAHYDRO-8-HYDROXY-3,6,9-TRIS(METHYLENE)-2-OXOAZULENO(4,5-B)FURAN-4-YL ESTER, (3AR-(3A.ALPHA.,4.ALPHA.,6A.ALPHA.,8.BETA.,9A.ALPHA.,9B.BETA.))-
Common Name English
Code System Code Type Description
WIKIPEDIA
Cynaropicrin
Created by admin on Fri Dec 15 20:38:54 UTC 2023 , Edited by admin on Fri Dec 15 20:38:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID20957143
Created by admin on Fri Dec 15 20:38:54 UTC 2023 , Edited by admin on Fri Dec 15 20:38:54 UTC 2023
PRIMARY
FDA UNII
M9233789I9
Created by admin on Fri Dec 15 20:38:54 UTC 2023 , Edited by admin on Fri Dec 15 20:38:54 UTC 2023
PRIMARY
CAS
35730-78-0
Created by admin on Fri Dec 15 20:38:54 UTC 2023 , Edited by admin on Fri Dec 15 20:38:54 UTC 2023
PRIMARY
PUBCHEM
119093
Created by admin on Fri Dec 15 20:38:54 UTC 2023 , Edited by admin on Fri Dec 15 20:38:54 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT