Structure database (LMSD)

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LM IDLMST01030139
Common Name-
Systematic Name4,24-Dimethylcholest-24-en-3β-ol
Synonyms-
Exact Mass
414.3862 (neutral)    Calculate m/z:
FormulaC29H50O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassErgosterols and C24-methyl derivatives [ST0103]
PubChem CID42608403
InChIKeyBTBRBCIRTOKWDH-XIAGWISRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C29H50O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-27,30H,3,8-17H2,1-2,4-7H3/t20?,21?,22?,23-,24?,25?,26?,27+,28-,29+/m1/s1
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SMILES
C1C[C@@]2(C3CC[C@@]4([C@H](CCC4C3CCC2C(C)[C@H]1O)C(C)CCC(=C)C(C)C)C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
466.97Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.17Molar
Refractivity
128.66