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

Details

Stereochemistry UNKNOWN
Molecular Formula C22H33NO5
Molecular Weight 391.5011
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BE-54476

SMILES

CCCC1C(C2C(CC(C)C(O)C2OC)C=C1C)C(=O)C3=C(O)C(C)NC3=O

InChI

InChIKey=VLORCSYWZHKQGK-UHFFFAOYSA-N
InChI=1S/C22H33NO5/c1-6-7-14-10(2)8-13-9-11(3)18(24)21(28-5)15(13)16(14)20(26)17-19(25)12(4)23-22(17)27/h8,11-16,18,21,24-25H,6-7,9H2,1-5H3,(H,23,27)

HIDE SMILES / InChI

Molecular Formula C22H33NO5
Molecular Weight 391.5011
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:31:46 GMT 2023
Edited
by admin
on Sat Dec 16 10:31:46 GMT 2023
Record UNII
18D8CG07SL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BE-54476
Common Name English
2H-PYRROL-2-ONE, 1,5-DIHYDRO-4-HYDROXY-5-METHYL-3-((1,2,4A,5,6,7,8,8A-OCTAHYDRO-7-HYDROXY-8-METHOXY-3,6-DIMETHYL-2-PROPYL-1-NAPHTHALENYL)CARBONYL)-, (+)-
Systematic Name English
2,4-PYRROLIDINEDIONE, 3-(HYDROXY(1,2,4A,5,6,7,8,8A-OCTAHYDRO-7-HYDROXY-8-METHOXY-3,6-DIMETHYL-2-PROPYL-1-NAPHTHALENYL)METHYLENE)-5-METHYL-, (+)-
Systematic Name English
Code System Code Type Description
FDA UNII
18D8CG07SL
Created by admin on Sat Dec 16 10:31:46 GMT 2023 , Edited by admin on Sat Dec 16 10:31:46 GMT 2023
PRIMARY
PUBCHEM
54684709
Created by admin on Sat Dec 16 10:31:46 GMT 2023 , Edited by admin on Sat Dec 16 10:31:46 GMT 2023
PRIMARY
CAS
214131-31-4
Created by admin on Sat Dec 16 10:31:46 GMT 2023 , Edited by admin on Sat Dec 16 10:31:46 GMT 2023
ALTERNATIVE
CAS
261360-41-2
Created by admin on Sat Dec 16 10:31:46 GMT 2023 , Edited by admin on Sat Dec 16 10:31:46 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY