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

Details

Stereochemistry ABSOLUTE
Molecular Formula C48H80O5
Molecular Weight 737.1458
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLYCYRRHETINYL STEARATE

SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)C1(C)C

InChI

InChIKey=NZGKLLOWEPXNDG-SSCMEWPNSA-N
InChI=1S/C48H80O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-40(50)53-39-26-27-46(6)38(43(39,2)3)25-28-48(8)41(46)37(49)33-35-36-34-45(5,42(51)52)30-29-44(36,4)31-32-47(35,48)7/h33,36,38-39,41H,9-32,34H2,1-8H3,(H,51,52)/t36-,38-,39-,41+,44+,45-,46-,47+,48+/m0/s1

HIDE SMILES / InChI

Molecular Formula C48H80O5
Molecular Weight 737.1458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:13:54 GMT 2025
Edited
by admin
on Mon Mar 31 18:13:54 GMT 2025
Record UNII
R63V8Q8M4R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SGS
Preferred Name English
GLYCYRRHETINYL STEARATE
INCI  
INCI  
Official Name English
OLEAN-12-EN-29-OIC ACID, 11-OXO-3-((1-OXOOCTADECYL)OXY)-, (3.BETA.,20.BETA.)-
Common Name English
3-STEAROYLOXY GLYCYRRHETINIC ACID
Common Name English
OLEAN-12-EN-30-OIC ACID, 3.BETA.-HYDROXY-11-OXO-, STEARATE
Common Name English
STEARIC ACID, ESTER WITH 3.BETA.-HYDROXY-11-OXOOLEAN-12-EN-30-OIC ACID
Common Name English
Code System Code Type Description
SMS_ID
100000166813
Created by admin on Mon Mar 31 18:13:54 GMT 2025 , Edited by admin on Mon Mar 31 18:13:54 GMT 2025
PRIMARY
PUBCHEM
71586807
Created by admin on Mon Mar 31 18:13:54 GMT 2025 , Edited by admin on Mon Mar 31 18:13:54 GMT 2025
PRIMARY
FDA UNII
R63V8Q8M4R
Created by admin on Mon Mar 31 18:13:54 GMT 2025 , Edited by admin on Mon Mar 31 18:13:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID10197470
Created by admin on Mon Mar 31 18:13:54 GMT 2025 , Edited by admin on Mon Mar 31 18:13:54 GMT 2025
PRIMARY
CAS
4827-59-2
Created by admin on Mon Mar 31 18:13:54 GMT 2025 , Edited by admin on Mon Mar 31 18:13:54 GMT 2025
PRIMARY
EVMPD
SUB181080
Created by admin on Mon Mar 31 18:13:54 GMT 2025 , Edited by admin on Mon Mar 31 18:13:54 GMT 2025
PRIMARY