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

Details

Stereochemistry EPIMERIC
Molecular Formula C24H29FO6
Molecular Weight 432.4819
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACROCINONIDE

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(O2)C=C)C(=O)CO

InChI

InChIKey=JGSKXHVNDZFORI-DZPDXEKMSA-N
InChI=1S/C24H29FO6/c1-4-20-30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,2)23(15,25)17(28)11-22(16,3)24(19,31-20)18(29)12-26/h4,7-9,15-17,19-20,26,28H,1,5-6,10-12H2,2-3H3/t15-,16-,17-,19+,20?,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H29FO6
Molecular Weight 432.4819
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:08:42 GMT 2023
Edited
by admin
on Fri Dec 15 16:08:42 GMT 2023
Record UNII
67N58AU0IZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACROCINONIDE
INN  
INN  
Official Name English
acrocinonide [INN]
Common Name English
9-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE CYCLIC 16,17-ACETAL WITH ACROLEIN
Common Name English
SD 2102 18
Code English
SD-2102-18
Code English
PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11,21-DIHYDROXY-16,17-(2-PROPENYLIDENEBIS(OXY))-, (11.BETA.,16.ALPHA.)-
Common Name English
SD 2102-18
Code English
Classification Tree Code System Code
NCI_THESAURUS C521
Created by admin on Fri Dec 15 16:08:42 GMT 2023 , Edited by admin on Fri Dec 15 16:08:42 GMT 2023
Code System Code Type Description
CAS
28971-58-6
Created by admin on Fri Dec 15 16:08:42 GMT 2023 , Edited by admin on Fri Dec 15 16:08:42 GMT 2023
PRIMARY
INN
3210
Created by admin on Fri Dec 15 16:08:42 GMT 2023 , Edited by admin on Fri Dec 15 16:08:42 GMT 2023
PRIMARY
NCI_THESAURUS
C77405
Created by admin on Fri Dec 15 16:08:42 GMT 2023 , Edited by admin on Fri Dec 15 16:08:42 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105519
Created by admin on Fri Dec 15 16:08:42 GMT 2023 , Edited by admin on Fri Dec 15 16:08:42 GMT 2023
PRIMARY
EVMPD
SUB05253MIG
Created by admin on Fri Dec 15 16:08:42 GMT 2023 , Edited by admin on Fri Dec 15 16:08:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID30183173
Created by admin on Fri Dec 15 16:08:42 GMT 2023 , Edited by admin on Fri Dec 15 16:08:42 GMT 2023
PRIMARY
SMS_ID
100000087676
Created by admin on Fri Dec 15 16:08:42 GMT 2023 , Edited by admin on Fri Dec 15 16:08:42 GMT 2023
PRIMARY
PUBCHEM
11743529
Created by admin on Fri Dec 15 16:08:42 GMT 2023 , Edited by admin on Fri Dec 15 16:08:42 GMT 2023
PRIMARY
WIKIPEDIA
Acrocinonide
Created by admin on Fri Dec 15 16:08:42 GMT 2023 , Edited by admin on Fri Dec 15 16:08:42 GMT 2023
PRIMARY
FDA UNII
67N58AU0IZ
Created by admin on Fri Dec 15 16:08:42 GMT 2023 , Edited by admin on Fri Dec 15 16:08:42 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY