Structure Database (LMSD)

Common Name
ent-kaur-16-en-19-al
Systematic Name
ent-kaur-16-en-19-al
Synonyms
  • ent-kaurenal
LM ID
LMPR0104130005
Formula
C20H30O
Exact Mass
Calculate m/z
286.229665
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Kaurane and phyllocladane diterpenoids [PR010413]

String Representations

InChiKey (Click to copy)
JCAVDWHQNFTFBW-LHYCJURKSA-N
InChi (Click to copy)
InChI=1S/C20H30O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h13,15-17H,1,4-12H2,2-3H3/t15?,16-,17+,18+,19-,20-/m1/s1
SMILES (Click to copy)
[C@@]123CC([C@@H](CC[C@@]1([H])[C@]1(C)CCC[C@@](C)(C=O)[C@@]1([H])CC2)C3)=C

Other Databases

CHEBI ID
15418
PubChem CID
10062561

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 308.63
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.15
Molar Refractivity 85.87

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Updated at
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