Structure Database (LMSD)

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
Status
Active
Exact Mass
Calculate m/z
272.2504
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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
CHEBI ID
PubChem CID

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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