Structure database (LMSD)

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LM IDLMST01130000
Common NameBufanolide skeleton (W)
Systematic Name-
Synonyms-
Exact Mass-
Formula-
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassBufanolides and derivatives [ST0113]
PubChem CID-
InChIKeyPXOHOSHERMSUCD-STLQBHMZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H38O2/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)
24(20,2)14-12-21(18)23/h16-21H,3-15H2,1-2H3/t16-,17?,18-,19+,20-,21-,23-,24+/m0/
s1
SMILES[C@]12(CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@]3([H])COC(=O)CC3)CC[C
@@]21[H])[H]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
376.90Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP6.27Molar
Refractivity
104.01