Structure Database (LMSD)

Common Name
Furostane skeleton
Systematic Name
Synonyms
LM ID
LMST01070000
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)
CTYOUOHIEXEYAW-MEVSNGMESA-N
InChi (Click to copy)
InChI=1S/C27H46O/c1-17(2)9-12-23-18(3)25-24(28-23)16-22-20-11-10-19-8-6-7-14-26(19,4)21(20)13-15-27(22,25)5/h17-25H,6-16H2,1-5H3/t18-,19?,20-,21+,22+,23-,24+,25+,26+,27+/m1/s1
SMILES (Click to copy)
[C@]12(CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]3[C@H](C)[C@@H](CCC(C)C)O[C@H]3C[C@@]21[H])[H]

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 5
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 422.65
Topological Polar Surface Area 11.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 8.06
Molar Refractivity 118.14

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Created at
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Updated at
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