Structure database (LMSD)

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LM IDLMST01150009
Common NameLeptinidine
Systematic Namesolanid-5-en-3β,23S-diol
Synonyms-
Exact Mass
413.3294 (neutral)    Calculate m/z:
FormulaC27H43NO2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassSolanidines and alkaloid derivatives [ST0115]
PubChem CID185580
InChIKeyRFIYLZGMGGONQR-QFJXAUAASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H43NO2/c1-15-11-23(30)25-16(2)24-22(28(25)14-15)13-21-19-6-5-17-12-1
8(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-25,29-30H,6-14H2,1-4H3/t15-,1
6-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
SMILESC1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@H](C)[C@@]6([H])[C@@H](O)C[C@H](C)CN6[C@
H]5C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings6Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
427.44Topological Polar
Surface Area
43.70Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP6.06Molar
Refractivity
122.35