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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H40O5
Molecular Weight 408.5723
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1.BETA.-HYDROXYDEOXYCHOLIC ACID

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C24H40O5
Molecular Weight 408.5723
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:30:11 UTC 2021
Edited
by admin
on Sat Jun 26 14:30:11 UTC 2021
Record UNII
HTY43X1B1P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1.BETA.-HYDROXYDEOXYCHOLIC ACID
Common Name English
1.BETA.,3.ALPHA.,12.ALPHA.-TRIHYDROXY-5.BETA.-CHOLANOIC ACID
Systematic Name English
CHOLAN-24-OIC ACID, 1,3,12-TRIHYDROXY-, (1.BETA.,3.ALPHA.,5.BETA.,12.ALPHA.)-
Common Name English
1.BETA.,3.ALPHA.,12.ALPHA.-TRIHYDROXY-5.BETA.-CHOLAN-24-OIC ACID
Systematic Name English
1 .BETA., 3.ALPHA., 12.ALPHA.-TRIHYDROXY-5.BETA.-CHOLANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
HTY43X1B1P
Created by admin on Sat Jun 26 14:30:11 UTC 2021 , Edited by admin on Sat Jun 26 14:30:11 UTC 2021
PRIMARY
PUBCHEM
5283850
Created by admin on Sat Jun 26 14:30:11 UTC 2021 , Edited by admin on Sat Jun 26 14:30:11 UTC 2021
PRIMARY
CAS
80434-32-8
Created by admin on Sat Jun 26 14:30:11 UTC 2021 , Edited by admin on Sat Jun 26 14:30:11 UTC 2021
PRIMARY
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