Structure database (LMSD)

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LM IDLMPR0104050009
Common Namelevopimaradienal
Systematic Nameabieta-8(14),12-dien-18-al
Synonyms(1R,4aR,4bS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-
decahydrophenanthrene-1-carbaldehyde; levopimaradien-18-al; levopimaral
Exact Mass
286.2297 (neutral)    Calculate m/z:
FormulaC20H30O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Abietane diterpenoids [PR010405]
PubChem CID443478
CHEBI ID52483
InChIKeyQAOPEXQKBQUUSQ-LWYYNNOASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4
/h6,12-14,17-18H,5,7-11H2,1-4H3/t17-,18-,19-,20+/m0/s1
SMILESC1[C@@]2(C)[C@@]([H])(CCC3[C@]2([H])CC=C(C(C)C)C=3)[C@@](C=O)(C)CC1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
318.35Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.32Molar
Refractivity
87.96