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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16O4
Molecular Weight 212.2423
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GUAIETOLIN, (S)-

SMILES

CCOC1=CC=CC=C1OC[C@@H](O)CO

InChI

InChIKey=XLOYQLAMNLMXCE-VIFPVBQESA-N
InChI=1S/C11H16O4/c1-2-14-10-5-3-4-6-11(10)15-8-9(13)7-12/h3-6,9,12-13H,2,7-8H2,1H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H16O4
Molecular Weight 212.2423
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:52:20 GMT 2023
Edited
by admin
on Sat Dec 16 10:52:20 GMT 2023
Record UNII
L7635M8189
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GUAIETOLIN, (S)-
Common Name English
1,2-PROPANEDIOL, 3-(2-ETHOXYPHENOXY)-, (2S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
45094302
Created by admin on Sat Dec 16 10:52:20 GMT 2023 , Edited by admin on Sat Dec 16 10:52:20 GMT 2023
PRIMARY
FDA UNII
L7635M8189
Created by admin on Sat Dec 16 10:52:20 GMT 2023 , Edited by admin on Sat Dec 16 10:52:20 GMT 2023
PRIMARY
CAS
139004-02-7
Created by admin on Sat Dec 16 10:52:20 GMT 2023 , Edited by admin on Sat Dec 16 10:52:20 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER