Structure database (LMSD)

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LM IDLMST04060024
Common NameNorhyodeoxycholic acid
Systematic Name24-nor-3α,6α-dihydroxy-5β-cholan-23-oic acid
Synonyms-
Exact Mass
378.2770 (neutral)    Calculate m/z:
FormulaC23H38O4
CategorySterol Lipids [ST]
Main ClassBile acids and derivatives [ST04]
Sub ClassC23 bile acids, alcohols, and derivatives [ST0406]
AbbrevST 23:1;O4
PubChem CID70676190
InChIKeyZBAVIUQLFUYWMT-NNUWNQTCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C23H38O4/c1-13(10-21(26)27)16-4-5-17-15-12-20(25)19-11-14(24)6-8-23(19,3)18(15)7-9-22(16,17)2/h13-20,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15+,16-,17+,18+,19+,20+,22-,23-/m1/s1
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SMILES
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC(=O)O)CC[C@@]4([H])[C@]3([H])C[C@H](O)[C@]2([H])C[C@H](O)C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings4Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
389.54Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP4.66Molar
Refractivity
105.05