Structure database (LMSD)

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LM IDLMST01100001
Common Name24-methylene-cycloartanol
Systematic Name24-methylene-9β,19-cyclo-lanostan-3β-ol
Synonyms-
Exact Mass
440.4018 (neutral)    Calculate m/z:
FormulaC31H52O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCycloartanols and derivatives [ST0110]
AbbrevST 31:2;O
PubChem CID9547213
InChIKeyBDHQMRXFDYJGII-PDJDWEBQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25?,26+,28-,29+,30-,31+/m1/s1
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SMILES
C12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]43C[C@@]14CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(=C)C(C)C)CC[C@@]21C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms32Rings5Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
489.21Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.70Molar
Refractivity
135.78