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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26O5
Molecular Weight 346.4174
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREDNIENIC ACID

SMILES

[H][C@@]12CC[C@](O)(C(O)=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=MCKJPJYRCPANCC-XLXYOEISSA-N
InChI=1S/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16+,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H26O5
Molecular Weight 346.4174
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:27:17 GMT 2023
Edited
by admin
on Sat Dec 16 01:27:17 GMT 2023
Record UNII
I3T12NR296
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREDNIENIC ACID
Common Name English
11.BETA.,17-DIHYDROXY-3-OXOANDROSTA-1,4-DIENE-17.BETA.-CARBOXYLIC ACID
Common Name English
PJ 90
Code English
PJ-90
Code English
.DELTA.1-CORTIENIC ACID
Common Name English
ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, 11,17-DIHYDROXY-3-OXO-, (11.BETA.,17.ALPHA.)-
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
253-719-9
Created by admin on Sat Dec 16 01:27:17 GMT 2023 , Edited by admin on Sat Dec 16 01:27:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID50191356
Created by admin on Sat Dec 16 01:27:17 GMT 2023 , Edited by admin on Sat Dec 16 01:27:17 GMT 2023
PRIMARY
FDA UNII
I3T12NR296
Created by admin on Sat Dec 16 01:27:17 GMT 2023 , Edited by admin on Sat Dec 16 01:27:17 GMT 2023
PRIMARY
SMS_ID
300000043940
Created by admin on Sat Dec 16 01:27:17 GMT 2023 , Edited by admin on Sat Dec 16 01:27:17 GMT 2023
PRIMARY
PUBCHEM
7092779
Created by admin on Sat Dec 16 01:27:17 GMT 2023 , Edited by admin on Sat Dec 16 01:27:17 GMT 2023
PRIMARY
CAS
37927-29-0
Created by admin on Sat Dec 16 01:27:17 GMT 2023 , Edited by admin on Sat Dec 16 01:27:17 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY