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Details

Stereochemistry ACHIRAL
Molecular Formula C44H52O6
Molecular Weight 676.8801
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 9
Charge 0

SHOW SMILES / InChI
Structure of ASTACIN DIACETATE

SMILES

CC(=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(C)=O)=CC2(C)C)=C(C)C1=O

InChI

InChIKey=QVICJAVDUCOKMH-QQXHRLQXSA-N
InChI=1S/C44H52O6/c1-29(19-15-21-31(3)23-25-37-33(5)41(47)39(49-35(7)45)27-43(37,9)10)17-13-14-18-30(2)20-16-22-32(4)24-26-38-34(6)42(48)40(50-36(8)46)28-44(38,11)12/h13-28H,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,29-17+,30-18+,31-21+,32-22+

HIDE SMILES / InChI

Molecular Formula C44H52O6
Molecular Weight 676.8801
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 10:08:53 GMT 2023
Edited
by admin
on Sat Dec 16 10:08:53 GMT 2023
Record UNII
J8T803D87N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASTACIN DIACETATE
Common Name English
.BETA.,.BETA.-CAROTENE-4,4'-DIONE, 3,3'-BIS(ACETYLOXY)-2,2',3,3'-TETRADEHYDRO-
Common Name English
.BETA.-CAROTENE-4,4'-DIONE, 2,2',3,3'-TETRADEHYDRO-3,3'-DIHYDROXY-, DIACETATE, ALL-TRANS-
Common Name English
Code System Code Type Description
CAS
5794-15-0
Created by admin on Sat Dec 16 10:08:53 GMT 2023 , Edited by admin on Sat Dec 16 10:08:53 GMT 2023
PRIMARY
PUBCHEM
73425425
Created by admin on Sat Dec 16 10:08:53 GMT 2023 , Edited by admin on Sat Dec 16 10:08:53 GMT 2023
PRIMARY
FDA UNII
J8T803D87N
Created by admin on Sat Dec 16 10:08:53 GMT 2023 , Edited by admin on Sat Dec 16 10:08:53 GMT 2023
PRIMARY