Structure Database (LMSD)

H H
Common Name
ent-kaurene
Systematic Name
ent-kaur-16-ene
Synonyms
  • (5beta,8alpha,9beta,10alpha,13alpha)-kaur-16-ene
  • ent-Kaur-16-ene
  • ent-Kaurene
  • ent-kaur-16-ene
LM ID
LMPR0104130002
Formula
C20H32
Exact Mass
Calculate m/z
272.2504
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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)
ONVABDHFQKWOSV-HPUSYDDDSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16-,17+,19-,20-/m1/s1
SMILES (Click to copy)
C1CCC(C)(C)[C@]2([H])[C@]1(C)[C@@]1([H])[C@]3(C[C@H](C(=C)C3)CC1)CC2

References

Other Databases

KEGG ID
C06090
CHEBI ID
15415
PubChem CID
11966109

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 302.48
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.98
Molar Refractivity 85.48

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Created at
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Updated at
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