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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H38O4
Molecular Weight 390.557
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-OXODEOXYCHOLIC ACID

SMILES

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

InChI

InChIKey=WMUMZOAFCDOTRW-OVEHVULHSA-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 390.557
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 Jun 26 00:47:05 UTC 2021
Edited
by admin
on Sat Jun 26 00:47:05 UTC 2021
Record UNII
ID36RLU01B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-OXODEOXYCHOLIC ACID
Common Name English
12.ALPHA.-HYDROXY-3-OXO-5.BETA.-CHOLANOIC ACID
Systematic Name English
3-OXO-12.ALPHA.-HYDROXYCHOLAN-24-OIC ACID
Systematic Name English
3-OXO-12.ALPHA.-HYDROXY-5.BETA.-CHOLANOIC ACID
Systematic Name English
12.ALPHA.-HYDROXY-3-OXO-5.BETA.-CHOL-24-OIC ACID
Systematic Name English
5.BETA.-CHOLANIC ACID, 12.ALPHA.-HYDROXY-3-OXO-
Systematic Name English
12.ALPHA.-HYDROXY-3-KETO-5.BETA.-CHOLANOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
160738
Created by admin on Sat Jun 26 00:47:05 UTC 2021 , Edited by admin on Sat Jun 26 00:47:05 UTC 2021
PRIMARY
FDA UNII
ID36RLU01B
Created by admin on Sat Jun 26 00:47:05 UTC 2021 , Edited by admin on Sat Jun 26 00:47:05 UTC 2021
PRIMARY
CAS
4185-01-7
Created by admin on Sat Jun 26 00:47:05 UTC 2021 , Edited by admin on Sat Jun 26 00:47:05 UTC 2021
PRIMARY
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