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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H39O5.Na
Molecular Weight 432.5458
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM CHOLATE, C-14

SMILES

[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC[14C]([O-])=O

InChI

InChIKey=NRHMKIHPTBHXPF-WNMHHXARSA-M
InChI=1S/C24H40O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1/i21+2;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H39O5
Molecular Weight 409.556
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:15:57 GMT 2023
Edited
by admin
on Sat Dec 16 05:15:57 GMT 2023
Record UNII
N6U8B5MNG0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM CHOLATE, C-14
Common Name English
(3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXYCHOLAN-24-OIC-24-14C ACID SODIUM SALT
Systematic Name English
(24-14C)CHOLIC ACID SODIUM SALT
Common Name English
CHOLIC ACID-24-14C SODIUM SALT
Common Name English
CHOLAN-24-OIC-24-14C ACID, 3,7,12-TRIHYDROXY-, MONOSODIUM SALT, (3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
N6U8B5MNG0
Created by admin on Sat Dec 16 05:15:57 GMT 2023 , Edited by admin on Sat Dec 16 05:15:57 GMT 2023
PRIMARY
PUBCHEM
145996594
Created by admin on Sat Dec 16 05:15:57 GMT 2023 , Edited by admin on Sat Dec 16 05:15:57 GMT 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
PARENT -> SALT/SOLVATE