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

Details

Stereochemistry ABSOLUTE
Molecular Formula C42H58O10
Molecular Weight 722.9039
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.BETA.,17,21-TRIHYDROXY-21-(11.BETA.,17,21-TRIHYDROXY-3,20-DIOXOPREGN-4-EN-21-YL)PREGN-4-ENE-3,20-DIONE

SMILES

[H][C@@]12CC[C@](O)(C(=O)C(O)C(O)C(=O)[C@@]3(O)CC[C@@]4([H])[C@]5([H])CCC6=CC(=O)CC[C@]6(C)[C@@]5([H])[C@@H](O)C[C@]34C)[C@@]1(C)C[C@H](O)[C@@]7([H])[C@@]2([H])CCC8=CC(=O)CC[C@]78C

InChI

InChIKey=NLVJJNWVPIIREB-VBJPHBTASA-N
InChI=1S/C42H58O10/c1-37-13-9-23(43)17-21(37)5-7-25-27-11-15-41(51,39(27,3)19-29(45)31(25)37)35(49)33(47)34(48)36(50)42(52)16-12-28-26-8-6-22-18-24(44)10-14-38(22,2)32(26)30(46)20-40(28,42)4/h17-18,25-34,45-48,51-52H,5-16,19-20H2,1-4H3/t25-,26-,27-,28-,29-,30-,31+,32+,33?,34?,37-,38-,39-,40-,41-,42-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
11.BETA.,17,21-TRIHYDROXY-21-(11.BETA.,17,21-TRIHYDROXY-3,20-DIOXOPREGN-4-EN-21-YL)PREGN-4-ENE-3,20-DIONE
Systematic Name English
HYDROCORTISONE IMPURITY N [EP IMPURITY]
Common Name English
HYDROCORTISONE DIMER
Common Name English
Code System Code Type Description
FDA UNII
BY4US3P6VS
Created by admin on Sat Dec 16 10:32:19 GMT 2023 , Edited by admin on Sat Dec 16 10:32:19 GMT 2023
PRIMARY
PUBCHEM
132990830
Created by admin on Sat Dec 16 10:32:19 GMT 2023 , Edited by admin on Sat Dec 16 10:32:19 GMT 2023
PRIMARY