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Details

Stereochemistry ABSOLUTE
Molecular Formula C59H90O4
Molecular Weight 863.3435
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 8
Charge 0

SHOW SMILES / InChI
Structure of UBICHROMENOL 50

SMILES

COC1=C(O)C(C)=C2C=C[C@@](C)(CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)OC2=C1OC

InChI

InChIKey=ARZCDYVIZADZJN-QXCSMICNSA-N
InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-42-59(12)43-41-54-53(11)55(60)57(61-13)58(62-14)56(54)63-59/h24,26,28,30,32,34,36,38,40-41,43,60H,15-23,25,27,29,31,33,35,37,39,42H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+/t59-/m1/s1

HIDE SMILES / InChI

Molecular Formula C59H90O4
Molecular Weight 863.3435
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 8
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:18:48 GMT 2023
Edited
by admin
on Sat Dec 16 08:18:48 GMT 2023
Record UNII
1EU272IO2S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UBICHROMENOL 50
MI  
Common Name English
UBICHROMENOL 50 [MI]
Common Name English
UBICHROMENOL
Common Name English
Code System Code Type Description
CAS
2382-48-1
Created by admin on Sat Dec 16 08:18:48 GMT 2023 , Edited by admin on Sat Dec 16 08:18:48 GMT 2023
PRIMARY
PUBCHEM
6443757
Created by admin on Sat Dec 16 08:18:48 GMT 2023 , Edited by admin on Sat Dec 16 08:18:48 GMT 2023
PRIMARY
FDA UNII
1EU272IO2S
Created by admin on Sat Dec 16 08:18:48 GMT 2023 , Edited by admin on Sat Dec 16 08:18:48 GMT 2023
PRIMARY
MERCK INDEX
m11295
Created by admin on Sat Dec 16 08:18:48 GMT 2023 , Edited by admin on Sat Dec 16 08:18:48 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID501318061
Created by admin on Sat Dec 16 08:18:48 GMT 2023 , Edited by admin on Sat Dec 16 08:18:48 GMT 2023
PRIMARY