Structure Database (LMSD)

Common Name
Capnell-9(12)-ene-8beta,10alpha-diol
Systematic Name
Synonyms
LM ID
LMPR0103720001
Status
Active
Exact Mass
Calculate m/z
236.17763
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)
NGFSLNSVVNJTOK-ZCRGAIPPSA-N
InChi (Click to copy)
InChI=1S/C15H24O2/c1-9-11(16)7-10-8-14(4)6-5-13(2,3)12(14)15(9,10)17/h10-12,16-17H,1,5-8H2,2-4H3/t10-,11-,12-,14-,15+/m0/s1
SMILES (Click to copy)
[C@]12(C)C[C@]3([H])C[C@H](O)C(=C)[C@]3(O)[C@@]1([H])C(C)(C)CC2

References

Reference
J. Chem. Soc. Perkin Tans. I 1988.

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 245.92
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.07
Molar Refractivity 68.46

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Updated at
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