Structure Database (LMSD)

Common Name
(+)-delta-Cuprenen-4alpha-ol
Systematic Name
Synonyms
LM ID
LMPR0103140002
Formula
C15H24O
Exact Mass
Calculate m/z
220.182715
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

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

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

Other Databases

CHEBI ID
192916
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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