Structure Database (LMSD)

Common Name
Leptinidine
Systematic Name
solanid-5-en-3β,23S-diol
Synonyms
LM ID
LMST01150009
Status
Active
Exact Mass
Calculate m/z
413.329379
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)
RFIYLZGMGGONQR-QFJXAUAASA-N
InChi (Click to copy)
InChI=1S/C27H43NO2/c1-15-11-23(30)25-16(2)24-22(28(25)14-15)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-25,29-30H,6-14H2,1-4H3/t15-,16-,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)[C@@]6([H])[C@@H](O)C[C@H](C)CN6[C@H]5C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 6
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 427.44
Topological Polar Surface Area 43.70
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.06
Molar Refractivity 122.35

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Created at
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Updated at
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