Structure database (LMSD)

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LM IDLMST01150000
Common NameSolanidane skeleton
Systematic Name-
Synonyms-
Exact Mass-
Formula-
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassSolanidines and alkaloid derivatives [ST0115]
PubChem CID-
InChIKeyBWBOFECLRQWOIP-VNUKWZOGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H45N/c1-17-8-11-23-18(2)25-24(28(23)16-17)15-22-20-10-9-19-7-5-6-13-
26(19,3)21(20)12-14-27(22,25)4/h17-25H,5-16H2,1-4H3/t17-,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@@]6([H])CC[C@H](C)CN6[C@H]5C[C@@]
4([H])[C@]3([H])CCC2CCC1)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings6Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
412.50Topological Polar
Surface Area
3.24Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP7.62Molar
Refractivity
118.58