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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 12β-hydroxy-3-oxo-5β-cholanoic acid

SMILES

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

InChI

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

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:49:50 GMT 2023
Edited
by admin
on Sat Dec 16 09:49:50 GMT 2023
Record UNII
3N58R986L2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
12β-hydroxy-3-oxo-5β-cholanoic acid
Common Name English
(4R)-4-[(1R,3aS,3bR,5aR,9aS,9bS,11R,11aR)-11-hydroxy-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Systematic Name English
12β-Hydroxy-3-oxo-5β-cholan-24-oic acid
Common Name English
(5β,12β)-12-Hydroxy-3-oxocholan-24-oic acid
Common Name English
3-keto-12β-Hydroxy-5β-cholan-24-oic acid
Common Name English
12BETA-HYDROXY-3-OXO-5BETA-CHOLANOIC ACID
Common Name English
Cholan-24-oic acid, 12-hydroxy-3-oxo-, (5β,12β)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90929574
Created by admin on Sat Dec 16 09:49:50 GMT 2023 , Edited by admin on Sat Dec 16 09:49:50 GMT 2023
PRIMARY
FDA UNII
3N58R986L2
Created by admin on Sat Dec 16 09:49:50 GMT 2023 , Edited by admin on Sat Dec 16 09:49:50 GMT 2023
PRIMARY
CAS
136892-43-8
Created by admin on Sat Dec 16 09:49:50 GMT 2023 , Edited by admin on Sat Dec 16 09:49:50 GMT 2023
PRIMARY
PUBCHEM
154474
Created by admin on Sat Dec 16 09:49:50 GMT 2023 , Edited by admin on Sat Dec 16 09:49:50 GMT 2023
PRIMARY