Structure database (LMSD)

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LM IDLMST01100000
Common Name9β,19-cyclo-lanostane skeleton
Systematic Name-
Synonyms-
Exact Mass-
Formula-
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCycloartanols and derivatives [ST0110]
PubChem CID73946272
InChIKeyBSLYZLYLUUIFGZ-AGMWJVERSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H52/c1-21(2)10-8-11-22(3)23-14-17-28(7)25-13-12-24-26(4,5)15-9-16-29(24)20-30(25,29)19-18-27(23,28)6/h21-25H,8-20H2,1-7H3/t22-,23-,24?,25+,27-,28+,29-,30+/m1/s1
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SMILES
[C@]12(CCC3C(C)(C)CCC[C@]43C[C@@]14CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21C)[H]
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings5Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
465.76Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP9.28Molar
Refractivity
129.35