Structure Database (LMSD)

Common Name
Solanidane skeleton
Systematic Name
Synonyms
LM ID
LMST01150000
Status
Active


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)
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

References

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

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Created at
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Updated at
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