Structure database (LMSD)

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LM IDLMST04060013
Common Name-
Systematic Name24-Nor-5β-chol-22-ene-3α,6α-diol
Synonyms-
Exact Mass
346.2872 (neutral)    Calculate m/z:
FormulaC23H38O2
CategorySterol Lipids [ST]
Main ClassBile acids and derivatives [ST04]
Sub ClassC23 bile acids, alcohols, and derivatives [ST0406]
AbbrevST 23:1;O2
LIPIDBANK IDBBA0504
PubChem CID5284308
CHEBI ID136925
InChIKeyXSPGWPUIEDLXKV-MAGGAUTPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C23H38O2/c1-5-14(2)17-6-7-18-16-13-21(25)20-12-15(24)8-10-23(20,4)19(16)9-11-22(17,18)3/h5,14-21,24-25H,1,6-13H2,2-4H3/t14-,15-,16+,17-,18+,19+,20+,21+,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)C=C)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 Atoms25Rings4Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
371.96Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP5.37Molar
Refractivity
103.00