Structure database (LMSD)

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LM IDLMPR0103690004
Common Name(+)-4-Isocedren-15-al
Systematic Name-
Synonyms-
Exact Mass
218.1671 (neutral)    Calculate m/z:
FormulaC15H22O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Cedrane and isocedrane sesquiterpenoids [PR010369]
PubChem CID42608182
InChIKeyXKFZSRUWOAGKRT-UNFRMQPBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H22O/c1-10-4-7-13-14(2,3)11-5-6-12(9-16)15(10,13)8-11/h6,9-11,13H,4-5,7-8H2,1-3H3/t10-,11?,13+,15+/m1/s1
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SMILES
[C@@]12([H])CC[C@@H](C)[C@]31C(C=O)=CC[C@@H](C3)C2(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
234.49Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP3.59Molar
Refractivity
64.97