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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H40O3
Molecular Weight 376.5726
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LITHOCHOLIC ACID

SMILES

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

InChI

InChIKey=SMEROWZSTRWXGI-HVATVPOCSA-N
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

HIDE SMILES / InChI
Molecular Formula C24H40O3
Molecular Weight 376.5726
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:09:31 UTC 2023
Edited
by admin
on Fri Dec 15 19:09:31 UTC 2023
Record UNII
5QU0I8393U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LITHOCHOLIC ACID
HSDB   MI  
Common Name English
LITHOCHOLIC ACID [MI]
Common Name English
3.ALPHA.-HYDROXYCHOLANIC ACID
Systematic Name English
17.BETA.-(1-METHYL-3-CARBOXYPROPYL)ETIOCHOLAN-3.ALPHA.-OL
Common Name English
URSODEOXYCHOLIC ACID IMPURITY C [EP IMPURITY]
Common Name English
LITHOCHOLIC ACID [EP IMPURITY]
Common Name English
NSC-683770
Code English
LITHOCHOLIC ACID [HSDB]
Common Name English
NSC-657956
Code English
Code System Code Type Description
CAS
434-13-9
Created by admin on Fri Dec 15 19:09:31 UTC 2023 , Edited by admin on Fri Dec 15 19:09:31 UTC 2023
PRIMARY
NSC
657956
Created by admin on Fri Dec 15 19:09:31 UTC 2023 , Edited by admin on Fri Dec 15 19:09:31 UTC 2023
PRIMARY
MERCK INDEX
m6871
Created by admin on Fri Dec 15 19:09:31 UTC 2023 , Edited by admin on Fri Dec 15 19:09:31 UTC 2023
PRIMARY Merck Index
HSDB
4113
Created by admin on Fri Dec 15 19:09:31 UTC 2023 , Edited by admin on Fri Dec 15 19:09:31 UTC 2023
PRIMARY
NSC
683770
Created by admin on Fri Dec 15 19:09:31 UTC 2023 , Edited by admin on Fri Dec 15 19:09:31 UTC 2023
PRIMARY
ECHA (EC/EINECS)
207-099-1
Created by admin on Fri Dec 15 19:09:31 UTC 2023 , Edited by admin on Fri Dec 15 19:09:31 UTC 2023
PRIMARY
WIKIPEDIA
LITHOCHOLIC ACID
Created by admin on Fri Dec 15 19:09:31 UTC 2023 , Edited by admin on Fri Dec 15 19:09:31 UTC 2023
PRIMARY
MESH
D008095
Created by admin on Fri Dec 15 19:09:31 UTC 2023 , Edited by admin on Fri Dec 15 19:09:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID6020779
Created by admin on Fri Dec 15 19:09:31 UTC 2023 , Edited by admin on Fri Dec 15 19:09:31 UTC 2023
PRIMARY
CHEBI
16325
Created by admin on Fri Dec 15 19:09:31 UTC 2023 , Edited by admin on Fri Dec 15 19:09:31 UTC 2023
PRIMARY
PUBCHEM
9903
Created by admin on Fri Dec 15 19:09:31 UTC 2023 , Edited by admin on Fri Dec 15 19:09:31 UTC 2023
PRIMARY
FDA UNII
5QU0I8393U
Created by admin on Fri Dec 15 19:09:31 UTC 2023 , Edited by admin on Fri Dec 15 19:09:31 UTC 2023
PRIMARY
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EP
NIH
NCATS
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