U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H16O4
Molecular Weight 248.2744
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dihydrokawain-5-ol, (5S,6R)-(-)-

SMILES

COC1=CC(=O)O[C@H](CCC2=CC=CC=C2)[C@@H]1O

InChI

InChIKey=VJCNEDVMYQCMBK-RISCZKNCSA-N
InChI=1S/C14H16O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3/t11-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H16O4
Molecular Weight 248.2744
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:57:38 GMT 2025
Edited
by admin
on Wed Apr 02 16:57:38 GMT 2025
Record UNII
T26HDQ3JV2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-(5S,6R)-Dihydrokawain-5-ol
Preferred Name English
Dihydrokawain-5-ol, (5S,6R)-(-)-
Common Name English
2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5S,6R)-
Systematic Name English
(5S,6R)-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one
Systematic Name English
Code System Code Type Description
FDA UNII
T26HDQ3JV2
Created by admin on Wed Apr 02 16:57:38 GMT 2025 , Edited by admin on Wed Apr 02 16:57:38 GMT 2025
PRIMARY
CAS
700870-80-0
Created by admin on Wed Apr 02 16:57:38 GMT 2025 , Edited by admin on Wed Apr 02 16:57:38 GMT 2025
PRIMARY
PUBCHEM
23642750
Created by admin on Wed Apr 02 16:57:38 GMT 2025 , Edited by admin on Wed Apr 02 16:57:38 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER