U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24O5
Molecular Weight 380.4337
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ROTIORIN

SMILES

CC[C@H](C)\C=C(C)\C=C\C1=CC2=CC3=C(C(C)=O)C(=O)O[C@]3(C)C(=O)C2=CO1

InChI

InChIKey=CJMOMVNHRUTOJX-WCUWGRSFSA-N
InChI=1S/C23H24O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19-20(15(4)24)22(26)28-23(19,5)21(25)18(16)12-27-17/h7-13H,6H2,1-5H3/b8-7+,14-9+/t13-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H24O5
Molecular Weight 380.4337
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:24:22 GMT 2023
Edited
by admin
on Sat Dec 16 11:24:22 GMT 2023
Record UNII
84M8SHQ8LY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROTIORIN
Common Name English
2H-FURO(3,2-G)(2)BENZOPYRAN-2,9(9AH)-DIONE, 3-ACETYL-6-(3,5-DIMETHYL-1,3-HEPTADIENYL)-9A-METHYL-, (S-(R*,R*-(E,E)))-
Systematic Name English
ROTIORINE
Common Name English
2H-FURO(3,2-G)(2)BENZOPYRAN-2,9(9AH)-DIONE, 3-ACETYL-6-((1E,3E,5S)-3,5-DIMETHYL-1,3-HEPTADIEN-1-YL)-9A-METHYL-, (9AS)-
Systematic Name English
(+)-ROTIORIN
Common Name English
Code System Code Type Description
PUBCHEM
90470745
Created by admin on Sat Dec 16 11:24:22 GMT 2023 , Edited by admin on Sat Dec 16 11:24:22 GMT 2023
PRIMARY
CAS
27781-60-8
Created by admin on Sat Dec 16 11:24:22 GMT 2023 , Edited by admin on Sat Dec 16 11:24:22 GMT 2023
PRIMARY
FDA UNII
84M8SHQ8LY
Created by admin on Sat Dec 16 11:24:22 GMT 2023 , Edited by admin on Sat Dec 16 11:24:22 GMT 2023
PRIMARY