Structure Database (LMSD)

Common Name
Furopirostane skeleton
Systematic Name
Synonyms
LM ID
LMST01090000
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)
JSDSJUPEGNNVNX-NERVNPJOSA-N
InChi (Click to copy)
InChI=1S/C27H44O2/c1-17-23-22(28-27(17)15-14-24(2,3)29-27)16-21-19-10-9-18-8-6-7-12-25(18,4)20(19)11-13-26(21,23)5/h17-23H,6-16H2,1-5H3/t17-,18?,19+,20-,21-,22-,23-,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(O[C@H]5C[C@@]4([H])[C@]3([H])CCC2CCC1)CC[C@](C)(C)O6)C

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 6
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 419.08
Topological Polar Surface Area 22.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.82
Molar Refractivity 117.92

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Created at
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Updated at
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