Structure Database (LMSD)

Common Name
ent-kaur-16-en-19-ol
Systematic Name
ent-kaur-16-en-19-ol
Synonyms
  • ent-kaur-16-en-19-ol
  • ent-kaurenol
LM ID
LMPR0104130003
Formula
C20H32O
Exact Mass
Calculate m/z
288.245315
Status
Active
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)
TUJQVRFWMWRMIO-LHYCJURKSA-N
InChi (Click to copy)
InChI=1S/C20H32O/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/h15-17,21H,1,4-13H2,2-3H3/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)(CO)[C@@]1([H])CC2)C3)=C

Other Databases

CHEBI ID
15416
PubChem CID
24883422

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 311.27
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.23
Molar Refractivity 87.39

Admin

Created at
-
Updated at
-