Structure Database (LMSD)

Common Name
Solanidine
Systematic Name
solanid-5-en-3β-ol
Synonyms
LM ID
LMST01150007
Status
Active
Exact Mass
Calculate m/z
397.334464
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

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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