Structure database (LMSD)

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LM IDLMST01100004
Common Name-
Systematic Name14-Nor-24-Methyl-9β,19-cyclo-lanostan-3β-ol
Synonyms-
Exact Mass
428.4018 (neutral)    Calculate m/z:
FormulaC30H52O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCycloartanols and derivatives [ST0110]
PubChem CID42608423
InChIKeyKRGVPDKYNCOXQO-GIINGCBPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
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
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings5Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
474.55Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.39Molar
Refractivity
131.19