Structure Database (LMSD)

Systematic Name
Lanost-9(11)-3β-ol
Synonyms
LM ID
LMST01010142
Formula
C30H50O
Exact Mass
Calculate m/z
426.386165
Sum Composition
ST 30:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

String Representations

InChiKey (Click to copy)
MLVSYGCURCOSKP-GEYMARGWSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,15,21-22,24-26,31H,9,11-14,16-19H2,1-8H3/t21?,22-,24?,25?,26+,28-,29-,30+/m1/s1
SMILES (Click to copy)
C1C[C@]2(C)C3=CC[C@@]4([C@H](CC[C@@]4(C)C3CCC2C(C)(C)[C@H]1O)C(C)CC/C=C(\C)/C)C

Other Databases

PubChem CID
42608389

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 481.63
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.62
Molar Refractivity 133.32

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Created at
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Updated at
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