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Details

Stereochemistry ACHIRAL
Molecular Formula C72H108O6
Molecular Weight 1069.6243
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 9
Charge 0

SHOW SMILES / InChI
Structure of ASTACEIN

SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC(C)(C)C(\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C(=O)C(OC(=O)CCCCCCCCCCCCCCC)=CC2(C)C)=C(C)C1=O

InChI

InChIKey=NHSUWMKUPCDXGS-CHSCTOIBSA-N
InChI=1S/C72H108O6/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-67(73)77-65-55-71(9,10)63(61(7)69(65)75)53-51-59(5)47-41-45-57(3)43-39-40-44-58(4)46-42-48-60(6)52-54-64-62(8)70(76)66(56-72(64,11)12)78-68(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-56H,13-38,49-50H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,57-43+,58-44+,59-47+,60-48+

HIDE SMILES / InChI

Molecular Formula C72H108O6
Molecular Weight 1069.6243
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 9
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:59:17 GMT 2023
Edited
by admin
on Sat Dec 16 10:59:17 GMT 2023
Record UNII
6QSL031K41
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASTACEIN
Common Name English
ASTACIN DIPALMITATE [MI]
Common Name English
.BETA.,.BETA.-CAROTENE-4,4'-DIONE, 2,2',3,3'-TETRADEHYDRO-3,3'-BIS((1-OXOHEXADECYL)OXY)-
Common Name English
ASTACIN DIPALMITATE
MI  
Common Name English
Code System Code Type Description
FDA UNII
6QSL031K41
Created by admin on Sat Dec 16 10:59:17 GMT 2023 , Edited by admin on Sat Dec 16 10:59:17 GMT 2023
PRIMARY
CAS
579-14-6
Created by admin on Sat Dec 16 10:59:17 GMT 2023 , Edited by admin on Sat Dec 16 10:59:17 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
20055189
Created by admin on Sat Dec 16 10:59:17 GMT 2023 , Edited by admin on Sat Dec 16 10:59:17 GMT 2023
PRIMARY