Structure Database (LMSD)

Common Name
Estrane skeleton
Systematic Name
Synonyms
LM ID
LMST02010000
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)
GRXPVLPQNMUNNX-MHJRRCNVSA-N
InChi (Click to copy)
InChI=1S/C18H30/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h13-17H,2-12H2,1H3/t13?,14-,15+,16+,17-,18-/m0/s1
SMILES (Click to copy)
[C@]12(CCC3CCCC[C@]3([H])[C@@]1([H])CC[C@]1(C)CCC[C@@]21[H])[H]

References

Other Databases

Wikipedia
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 270.52
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.42
Molar Refractivity 76.34

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Created at
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Updated at
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