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Details

Stereochemistry ACHIRAL
Molecular Formula C32H32O8
Molecular Weight 544.5917
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ROTTLERIN 5,7-DIMETHYL ETHER

SMILES

COC1=C(CC2=C(O)C(C)=C(O)C(C(C)=O)=C2O)C(OC)=C3C=CC(C)(C)OC3=C1C(=O)\C=C\C4=CC=CC=C4

InChI

InChIKey=UZJHUWJFXYDAOA-OUKQBFOZSA-N
InChI=1S/C32H32O8/c1-17-26(35)21(28(37)24(18(2)33)27(17)36)16-22-29(38-5)20-14-15-32(3,4)40-31(20)25(30(22)39-6)23(34)13-12-19-10-8-7-9-11-19/h7-15,35-37H,16H2,1-6H3/b13-12+

HIDE SMILES / InChI

Molecular Formula C32H32O8
Molecular Weight 544.5917
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:24:15 GMT 2023
Edited
by admin
on Sat Dec 16 00:24:15 GMT 2023
Record UNII
KY0Y81N4WC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROTTLERIN 5,7-DIMETHYL ETHER
MI  
Common Name English
5,7-DIMETHYL-ROTTLERIN
Common Name English
ROTTLERIN 5,7-DIMETHYL ETHER [MI]
Common Name English
Code System Code Type Description
FDA UNII
KY0Y81N4WC
Created by admin on Sat Dec 16 00:24:15 GMT 2023 , Edited by admin on Sat Dec 16 00:24:15 GMT 2023
PRIMARY
MERCK INDEX
m9675
Created by admin on Sat Dec 16 00:24:15 GMT 2023 , Edited by admin on Sat Dec 16 00:24:15 GMT 2023
PRIMARY Merck Index
PUBCHEM
76958776
Created by admin on Sat Dec 16 00:24:15 GMT 2023 , Edited by admin on Sat Dec 16 00:24:15 GMT 2023
PRIMARY