Structure Database (LMSD)
Common Name
Solanidine
Systematic Name
solanid-5-en-3β-ol
Synonyms
3D model of Solanidine
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)
JVKYZPBMZPJNAJ-OQFNDJACSA-N
InChi (Click to copy)
InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,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)[C@@]6([H])CC[C@H](C)CN6[C@H]5C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
6
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
418.65
Topological Polar Surface Area
23.47
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.80
Molar Refractivity
120.45
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Created at
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Updated at
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