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Details

Stereochemistry RACEMIC
Molecular Formula C49H76O3
Molecular Weight 713.1259
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of TRETINOIN TOCOFERIL

SMILES

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(=O)\C=C(C)\C=C\C=C(C)\C=C\C3=C(C)CCCC3(C)C)=C2C

InChI

InChIKey=RIQIJXOWVAHQES-UNAKLNRMSA-N
InChI=1S/C49H76O3/c1-34(2)19-14-20-35(3)21-15-22-36(4)25-17-31-49(13)32-29-43-42(10)46(40(8)41(9)47(43)52-49)51-45(50)33-38(6)24-16-23-37(5)27-28-44-39(7)26-18-30-48(44,11)12/h16,23-24,27-28,33-36H,14-15,17-22,25-26,29-32H2,1-13H3/b24-16+,28-27+,37-23+,38-33+/t35-,36-,49-/m1/s1

HIDE SMILES / InChI

Molecular Formula C49H76O3
Molecular Weight 713.1259
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
CTD060B1SS
Record Status Validated (UNII)
Record Version