Structure Database (LMSD)

Common Name
ent-kaur-16-en-19-oic acid
Systematic Name
ent-kaur-16-en-19-oic acid
Synonyms
  • ent-kaur-16-en-19-oic acid
  • ent-kaurenoic acid
LM ID
LMPR0104130004
Status
Active
Exact Mass
Calculate m/z
302.22458
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)
NIKHGUQULKYIGE-MHHCCDILSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14?,15-,16-,18+,19+,20+/m0/s1
SMILES (Click to copy)
[C@@]123CC([C@@H](CC[C@@]1([H])[C@]1(C)CCC[C@@](C)(C(O)=O)[C@@]1([H])CC2)C3)=C

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 317.42
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.04
Molar Refractivity 87.45

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Created at
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Updated at
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