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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34O4
Molecular Weight 350.4923
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.ALPHA.,11.BETA.,17.ALPHA.-TRIHYDROXY-5.BETA.-PREGNAN-20-ONE

SMILES

[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CC[C@]4([H])C[C@H](O)CC[C@]34C

InChI

InChIKey=VHYUGQIWISVBRT-SUTVCERISA-N
InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3.ALPHA.,11.BETA.,17.ALPHA.-TRIHYDROXY-5.BETA.-PREGNAN-20-ONE
Common Name English
1-((3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-TRIHYDROXY-10,13-DIMETHYL-1,2,3,4,5,6,7,8,9,11,12,14,15,16-TETRADECAHYDROCYCLOPENTA(A)PHENANTHREN-17-YL)ETHANONE
Systematic Name English
J846.207K
Code English
3-ALPHA,11-BETA,17-ALPHA-TRIHYDROXY-5-BETA-PREGNAN-20-ONE
Common Name English
TIXOCORTOL PIVALATE METABOLITE M8
Common Name English
C15403
Code English
TETRAHYDRO-21-DEOXYCORTISOL
Common Name English
PREGNAN-20-ONE, 3,11,17-TRIHYDROXY-, (3.ALPHA.,5.BETA.,11.BETA.)-
Systematic Name English
NSC-53891
Code English
Code System Code Type Description
CAS
7252-91-7
Created by admin on Sat Dec 16 08:20:04 GMT 2023 , Edited by admin on Sat Dec 16 08:20:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID00288043
Created by admin on Sat Dec 16 08:20:04 GMT 2023 , Edited by admin on Sat Dec 16 08:20:04 GMT 2023
PRIMARY
FDA UNII
7G74CW77XH
Created by admin on Sat Dec 16 08:20:04 GMT 2023 , Edited by admin on Sat Dec 16 08:20:04 GMT 2023
PRIMARY
NSC
53891
Created by admin on Sat Dec 16 08:20:04 GMT 2023 , Edited by admin on Sat Dec 16 08:20:04 GMT 2023
PRIMARY
PUBCHEM
243747
Created by admin on Sat Dec 16 08:20:04 GMT 2023 , Edited by admin on Sat Dec 16 08:20:04 GMT 2023
PRIMARY