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Details

Stereochemistry EPIMERIC
Molecular Formula C47H80O12
Molecular Weight 837.1309
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 2
Charge 0

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

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=OIQGPWRMFKQDMD-OPFFLVRTSA-N
InChI=1S/C47H80O12/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(50)55-37-41(38-56-47(54)45(58-40(4)49)44(46(52)53)57-39(3)48)59-43(51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41,44-45H,5-18,23-38H2,1-4H3,(H,52,53)/b21-19-,22-20-/t41?,44-,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula C47H80O12
Molecular Weight 837.1309
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:56:03 GMT 2025
Edited
by admin
on Mon Mar 31 20:56:03 GMT 2025
Record UNII
YYG0UZI3A0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLYCERYL 1-DIACETYLTARTRATE 2,3-DIOLEATE
Common Name English
FEMA NO. 4092, 1-DIACETYLTARTRATE 2,3-DIOLEATE-
Preferred Name English
2,3-DIACETOXY-4-(2,3-BIS(((Z)-OCTADEC-9-ENOYL)OXY)PROPOXY)-4-OXO-BUTANOIC ACID
Systematic Name English
BUTANEDIOIC ACID, 2,3-BIS(ACETYLOXY)-, MONO(2,3-BIS((1-OXO-9-OCTADECENYL)OXY)PROPYL) ESTER
Common Name English
BUTANEDIOIC ACID, 2,3-BIS(ACETYLOXY)-, 1-(2,3-BIS((1-OXO-9-OCTADECEN-1-YL)OXY)PROPYL) ESTER
Common Name English
Code System Code Type Description
CAS
104133-04-2
Created by admin on Mon Mar 31 20:56:03 GMT 2025 , Edited by admin on Mon Mar 31 20:56:03 GMT 2025
PRIMARY
FDA UNII
YYG0UZI3A0
Created by admin on Mon Mar 31 20:56:03 GMT 2025 , Edited by admin on Mon Mar 31 20:56:03 GMT 2025
PRIMARY
PUBCHEM
72941632
Created by admin on Mon Mar 31 20:56:03 GMT 2025 , Edited by admin on Mon Mar 31 20:56:03 GMT 2025
PRIMARY