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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14O4
Molecular Weight 198.2158
Optical Activity ( - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAEONILACTONE A

SMILES

C[C@@H]1[C@H]2CC(=O)[C@@](C)(O)C[C@H]2OC1=O

InChI

InChIKey=NODZICYHUGDVAM-IBNKKVAHSA-N
InChI=1S/C10H14O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h5-7,13H,3-4H2,1-2H3/t5-,6-,7-,10+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PAEONILACTONE A
Common Name English
(-)-PAEONILACTONE A
Preferred Name English
(3R,3AR,6S,7AR)-TETRAHYDRO-6-HYDROXY-3,6-DIMETHYL-2,5(3H,4H)-BENZOFURANDIONE
Systematic Name English
2,5(3H,4H)-BENZOFURANDIONE, TETRAHYDRO-6-HYDROXY-3,6-DIMETHYL-, (3R,3AR,6S,7AR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10081437
Created by admin on Mon Mar 31 22:58:15 GMT 2025 , Edited by admin on Mon Mar 31 22:58:15 GMT 2025
PRIMARY
FDA UNII
LQV4N956WD
Created by admin on Mon Mar 31 22:58:15 GMT 2025 , Edited by admin on Mon Mar 31 22:58:15 GMT 2025
PRIMARY
CAS
98751-79-2
Created by admin on Mon Mar 31 22:58:15 GMT 2025 , Edited by admin on Mon Mar 31 22:58:15 GMT 2025
PRIMARY