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

Details

Stereochemistry ABSOLUTE
Molecular Formula C47H84O12
Molecular Weight 841.1627
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLYCERYL 2-DIACETYLTARTRATE 1,3-DISTEARATE

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(O)=O

InChI

InChIKey=CSAIQJJLLSHQDS-GSFSDPDBSA-N
InChI=1S/C47H84O12/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(50)55-37-41(59-47(54)45(58-40(4)49)44(46(52)53)57-39(3)48)38-56-43(51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h41,44-45H,5-38H2,1-4H3,(H,52,53)/t44-,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula C47H84O12
Molecular Weight 841.1627
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 Sat Dec 16 01:38:18 GMT 2023
Edited
by admin
on Sat Dec 16 01:38:18 GMT 2023
Record UNII
1QUJ46FZ1T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLYCERYL 2-DIACETYLTARTRATE 1,3-DISTEARATE
Common Name English
FEMA NO. 4092, 2-DIACETYLTARTRATE 1,3-DISTEARATE-
Code English
BUTANEDIOIC ACID, 2,3-BIS(ACETYLOXY)-, 1-(2-((1-OXOOCTADECYL)OXY)-1-(((1-OXOOCTADECYL)OXY)METHYL)ETHYL) ESTER
Common Name English
Code System Code Type Description
CAS
935546-45-5
Created by admin on Sat Dec 16 01:38:18 GMT 2023 , Edited by admin on Sat Dec 16 01:38:18 GMT 2023
PRIMARY
PUBCHEM
72941956
Created by admin on Sat Dec 16 01:38:18 GMT 2023 , Edited by admin on Sat Dec 16 01:38:18 GMT 2023
PRIMARY
FDA UNII
1QUJ46FZ1T
Created by admin on Sat Dec 16 01:38:18 GMT 2023 , Edited by admin on Sat Dec 16 01:38:18 GMT 2023
PRIMARY