Structure Database (LMSD)
Common Name
Solanidane skeleton
Systematic Name
Synonyms
LM ID
LMST01150000
Status
Curated
3D model of Solanidane skeleton
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BWBOFECLRQWOIP-VNUKWZOGSA-N
InChi (Click to copy)
InChI=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
SMILES (Click to copy)
C1[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
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
6
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
412.50
Topological Polar Surface Area
3.24
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
7.62
Molar Refractivity
118.58
Admin
Created at
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Updated at
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