Structure Database (LMSD)

H OH
Common Name
(-)-Dilophol
Systematic Name
(-)-1(10),4,14-prenyl-germacatrien-6β-ol
Synonyms
LM ID
LMPR0104450002
Formula
C20H34O
Exact Mass
Calculate m/z
290.260965
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]
Prenyleudesmane, prenylgermacrane and prenylbicyclogermacrane diterpenoids [PR010445]

String Representations

InChiKey (Click to copy)
OUVXRPFTQJMCGW-BRPRPXEGSA-N
InChi (Click to copy)
InChI=1S/C20H34O/c1-15(2)8-6-11-18(5)19-13-12-16(3)9-7-10-17(4)14-20(19)21/h8-9,14,18-21H,6-7,10-13H2,1-5H3/b16-9+,17-14+/t18-,19-,20-/m0/s1
SMILES (Click to copy)
C1C=C(C)CC[C@@]([H])([C@@H](C)CC/C=C(\C)/C)[C@@H](O)C=C(C)C1

References

Other Databases

CHEBI ID
173134
PubChem CID
42608260

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 343.07
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.10
Molar Refractivity 93.82

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Created at
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Updated at
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