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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H58O10
Molecular Weight 722.9055
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

C[C@@]12CCC(=O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@](C(=O)C([H])(C([H])(C(=O)[C@]5(CC[C@@]6([H])[C@]7([H])CCC8=CC(=O)CC[C@]8(C)[C@@]7([H])[C@]([H])(C[C@@]65C)O)O)O)O)([C@@]4(C)C[C@@]([H])([C@@]31[H])O)O

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

Molecular Formula C42H58O10
Molecular Weight 722.9055
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 13 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 21:21:32 UTC 2021
Edited
by admin
on Fri Jun 25 21:21:32 UTC 2021
Record UNII
BY4US3P6VS
Record Status Validated (UNII)
Record Version
  • Download
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]
Common Name English
HYDROCORTISONE DIMER
Common Name English
Code System Code Type Description
FDA UNII
BY4US3P6VS
Created by admin on Fri Jun 25 21:21:32 UTC 2021 , Edited by admin on Fri Jun 25 21:21:32 UTC 2021
PRIMARY
PUBCHEM
132990830
Created by admin on Fri Jun 25 21:21:32 UTC 2021 , Edited by admin on Fri Jun 25 21:21:32 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP