Structure database (LMSD)

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LM IDLMST01010207
Common Name4,4-dimethyl-5α-cholest-7-en-3β-ol
Systematic Name4,4-dimethyl-5α-cholest-7-en-3β-ol
Synonyms4,4-Dimethyl-5α-cholest-7-en-3β-ol; 4,4-dimethyl-5α-cholest-7-en-3β-ol
Exact Mass
414.3862 (neutral)    Calculate m/z:
FormulaC29H50O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
AbbrevST 29:1;O
PubChem CID5460076
KEGG IDC04530
CHEBI ID16455
InChIKeyUVNXFLZMQCAWCP-RCTKLBHESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h11,19-20,22-26,30H,8-10,12-18H2,1-7H3/t20-,22-,23+,24+,25+,26+,28-,29-/m1/s1
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SMILES
[C@]12([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])C1=CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)O)[C@]([H])(C)CCCC(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
 logP8.31Molar
Refractivity
128.73