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
Main
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
References
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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