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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H38O4
Molecular Weight 390.5561
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NUTRIACHOLIC ACID

SMILES

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](O)C[C@H]4CC3=O

InChI

InChIKey=DXOCDBGWDZAYRQ-AURDAFMXSA-N
InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H38O4
Molecular Weight 390.5561
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:47:04 GMT 2025
Edited
by admin
on Mon Mar 31 17:47:04 GMT 2025
Record UNII
Y1357H1A28
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-226118
Preferred Name English
NUTRIACHOLIC ACID
Common Name English
7-OXO-3.ALPHA.-HYDROXYCHOLAN-24-OIC ACID
Systematic Name English
3.ALPHA.-HYDROXY-7-OXO-5.BETA.-CHOLANIC ACID
Systematic Name English
URSODEOXYCHOLIC ACID IMPURITY F [EP IMPURITY]
Common Name English
7-KETOCHENODEOXYCHOLIC ACID
Common Name English
7-KETOLITHOCHOLIC ACID
Common Name English
7-KETO-LITHOCHOLIC ACID
Common Name English
7-OXOLITHOCHOLIC ACID
Common Name English
CHOLAN-24-OIC ACID, 3-HYDROXY-7-OXO-, (3.ALPHA.,5.BETA.)-
Common Name English
3.ALPHA.-HYDROXY-7-OXO-5.BETA.-CHOLAN-24-OIC ACID
Systematic Name English
3.ALPHA.-HYDROXY-7-OXO-5.BETA.-CHOLANOIC ACID
Systematic Name English
3.ALPHA.-HYDROXY-7-OXO-5.BETA.-CHOLIC ACID
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
225-083-2
Created by admin on Mon Mar 31 17:47:04 GMT 2025 , Edited by admin on Mon Mar 31 17:47:04 GMT 2025
PRIMARY
CAS
4651-67-6
Created by admin on Mon Mar 31 17:47:04 GMT 2025 , Edited by admin on Mon Mar 31 17:47:04 GMT 2025
PRIMARY
NSC
226118
Created by admin on Mon Mar 31 17:47:04 GMT 2025 , Edited by admin on Mon Mar 31 17:47:04 GMT 2025
PRIMARY
PUBCHEM
444262
Created by admin on Mon Mar 31 17:47:04 GMT 2025 , Edited by admin on Mon Mar 31 17:47:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID501032263
Created by admin on Mon Mar 31 17:47:04 GMT 2025 , Edited by admin on Mon Mar 31 17:47:04 GMT 2025
PRIMARY
FDA UNII
Y1357H1A28
Created by admin on Mon Mar 31 17:47:04 GMT 2025 , Edited by admin on Mon Mar 31 17:47:04 GMT 2025
PRIMARY
CHEBI
82679
Created by admin on Mon Mar 31 17:47:04 GMT 2025 , Edited by admin on Mon Mar 31 17:47:04 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PARENT -> METABOLITE
IN VITRO
MINOR
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP