Structure Database (LMSD)

Common Name
(+)-delta-Cuprenen-4alpha-ol
Systematic Name
Synonyms
LM ID
LMPR0103140002
Status
Active
Exact Mass
Calculate m/z
220.182715
Formula
C15H24O
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Cuparane sesquiterpenoids [PR010314]

String Representations

InChiKey (Click to copy)
QBPYGYSTALYKTI-SWLSCSKDSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-11-6-7-12(10-13(11)16)15(4)9-5-8-14(15,2)3/h10,12,16H,1,5-9H2,2-4H3/t12-,15+/m0/s1
SMILES (Click to copy)
C1C(=C)C(O)=C[C@@]([H])([C@@]2(C)CCCC2(C)C)C1

References

Reference
Fraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2002, 19, 650-672.

Other Databases

PubChem CID
42608141

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 246.85
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.61
Molar Refractivity 68.31

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Updated at
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