Structure database (LMSD)

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LM IDLMPR0103140002
Common Name(+)-δ-Cuprenen-4α-ol
Systematic Name-
Synonyms-
Exact Mass
220.1827 (neutral)    Calculate m/z:
FormulaC15H24O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Cuparane sesquiterpenoids [PR010314]
PubChem CID42608141
InChIKeyQBPYGYSTALYKTI-SWLSCSKDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
C1C(=C)C(O)=C[C@@]([H])([C@@]2(C)CCCC2(C)C)C1
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StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2002, 19, 650-672.
Calculated physicochemical properties (?):
 Heavy Atoms16Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
246.85Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.61Molar
Refractivity
68.31