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Details

Stereochemistry ACHIRAL
Molecular Formula C35H38O8
Molecular Weight 586.6714
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ROTTLERIN PENTAMETHYL ETHER

SMILES

COC1=C(CC2=C(OC)C(C(=O)\C=C\C3=CC=CC=C3)=C4OC(C)(C)C=CC4=C2OC)C(OC)=C(C(C)=O)C(OC)=C1C

InChI

InChIKey=UVPXHOVAGSJMBR-FOCLMDBBSA-N
InChI=1S/C35H38O8/c1-20-29(38-5)24(32(41-8)27(21(2)36)30(20)39-6)19-25-31(40-7)23-17-18-35(3,4)43-34(23)28(33(25)42-9)26(37)16-15-22-13-11-10-12-14-22/h10-18H,19H2,1-9H3/b16-15+

HIDE SMILES / InChI

Molecular Formula C35H38O8
Molecular Weight 586.6714
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 00:59:56 GMT 2023
Edited
by admin
on Sat Dec 16 00:59:56 GMT 2023
Record UNII
35R27446G2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROTTLERIN PENTAMETHYL ETHER
MI  
Common Name English
2-PROPEN-1-ONE, 1-(6-((3-ACETYL-2,4,6-TRIMETHOXY-5-METHYLPHENYL)METHYL)-5,7-DIMETHOXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-8-YL)-3-PHENYL-
Systematic Name English
ROTTLERIN PENTAMETHYL ETHER [MI]
Common Name English
Code System Code Type Description
PUBCHEM
71587823
Created by admin on Sat Dec 16 00:59:56 GMT 2023 , Edited by admin on Sat Dec 16 00:59:56 GMT 2023
PRIMARY
CAS
857756-78-6
Created by admin on Sat Dec 16 00:59:56 GMT 2023 , Edited by admin on Sat Dec 16 00:59:56 GMT 2023
PRIMARY
MERCK INDEX
m9675
Created by admin on Sat Dec 16 00:59:56 GMT 2023 , Edited by admin on Sat Dec 16 00:59:56 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID00235077
Created by admin on Sat Dec 16 00:59:56 GMT 2023 , Edited by admin on Sat Dec 16 00:59:56 GMT 2023
PRIMARY
FDA UNII
35R27446G2
Created by admin on Sat Dec 16 00:59:56 GMT 2023 , Edited by admin on Sat Dec 16 00:59:56 GMT 2023
PRIMARY