Structure Database (LMSD)

Systematic Name
14-Nor-24-Methyl-9β,19-cyclo-lanostan-3β-ol
Synonyms
LM ID
LMST01100004
Formula
C30H52O
Exact Mass
Calculate m/z
428.401815
Sum Composition
ST 30:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cycloartanols and derivatives [ST0110]

String Representations

InChiKey (Click to copy)
KRGVPDKYNCOXQO-GIINGCBPSA-N
InChi (Click to copy)
InChI=1S/C30H52O/c1-19(2)20(3)8-9-21(4)22-10-11-23-24-12-13-25-27(5,6)26(31)14-15-30(25)18-29(24,30)17-16-28(22,23)7/h19-26,31H,8-18H2,1-7H3/t20?,21?,22-,23?,24?,25?,26+,28-,29+,30-/m1/s1
SMILES (Click to copy)
C1C[C@@]23[C@]4(C2)CC[C@@]2([C@H](CCC2C4CCC3C(C)(C)[C@H]1O)C(C)CCC(C)C(C)C)C

Other Databases

PubChem CID
42608423

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 474.55
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.39
Molar Refractivity 131.19

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Created at
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Updated at
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