Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01070000
Common NameFurostane skeleton
Systematic Name-
Synonyms-
Exact Mass-
Formula-
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassFurostanols and derivatives [ST0107]
PubChem CID-
CHEBI ID24130
InChIKeyCTYOUOHIEXEYAW-MEVSNGMESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H46O/c1-17(2)9-12-23-18(3)25-24(28-23)16-22-20-11-10-19-8-6-7-14-26(
19,4)21(20)13-15-27(22,25)5/h17-25H,6-16H2,1-5H3/t18-,19?,20-,21+,22+,23-,24+,25
+,26+,27+/m1/s1
SMILES[C@]12(CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]3[C@H](C)[C@@H](CCC(C)C)O[C@H]3
C[C@@]21[H])[H]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings5Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
422.65Topological Polar
Surface Area
11.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP8.06Molar
Refractivity
118.14