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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H42O4
Molecular Weight 418.6093
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.ALPHA.-HYDROXY-6.ALPHA.-ETHYL-7-KETO-5.BETA.-CHOLAN-24-OIC ACID

SMILES

CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C1=O)[C@H](C)CCC(O)=O

InChI

InChIKey=LHSZAKRHUYJKIU-CNFLPKCYSA-N
InChI=1S/C26H42O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23,27H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H42O4
Molecular Weight 418.6093
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:56:58 GMT 2025
Edited
by admin
on Wed Apr 02 08:56:58 GMT 2025
Record UNII
5Q3EE9PB98
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3.ALPHA.,5.BETA.,6.ALPHA.)-6-ETHYL-3-HYDROXY-7-OXOCHOLAN-24-OIC ACID
Preferred Name English
3.ALPHA.-HYDROXY-6.ALPHA.-ETHYL-7-KETO-5.BETA.-CHOLAN-24-OIC ACID
Systematic Name English
3.ALPHA.-HYDROXY-6.ALPHA.-ETHYL-7-KETO-5.BETA.-CHOLANIC ACID
Systematic Name English
CHOLAN-24-OIC ACID, 6-ETHYL-3-HYDROXY-7-OXO-, (3.ALPHA.,5.BETA.,6.ALPHA.)-
Systematic Name English
6.ALPHA.-ETHYL-3.ALPHA.-HYDROXY-7-KETO-5.BETA.-CHOLAN-24-OIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
5Q3EE9PB98
Created by admin on Wed Apr 02 08:56:58 GMT 2025 , Edited by admin on Wed Apr 02 08:56:58 GMT 2025
PRIMARY
PUBCHEM
67102585
Created by admin on Wed Apr 02 08:56:58 GMT 2025 , Edited by admin on Wed Apr 02 08:56:58 GMT 2025
PRIMARY
CAS
915038-26-5
Created by admin on Wed Apr 02 08:56:58 GMT 2025 , Edited by admin on Wed Apr 02 08:56:58 GMT 2025
PRIMARY