Structure database (LMSD)

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LM IDLMST01010124
Common Name32-hydroxylanosterol
Systematic Name4,4-dimethyl-14α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol
Synonymslanosta-8,24-dien-3β,30-diol
Exact Mass
442.3811 (neutral)    Calculate m/z:
FormulaC30H50O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID22298935
KEGG IDC01943
HMDB IDHMDB01242
InChIKeyDWVYYKFZEDMMPU-PUXRVUTHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H50O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32
)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,21-22,25-26,31-32H,8,10-19H2,1-7H3/t21-
,22-,25+,26+,28-,29-,30-/m1/s1
SMILESC12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@@]([H])([C@@](C)([H])C
C/C=C(\C)/C)CC[C@@]21CO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms32Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
490.42Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP8.02Molar
Refractivity
135.29