Structure Database (LMSD)

Common Name
(-)-Dilophol
Systematic Name
(-)-1(10),4,14-prenyl-germacatrien-6β-ol
Synonyms
LM ID
LMPR0104450002
Status
Active
Exact Mass
Calculate m/z
290.260965
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)
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

PubChem CID

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

Admin

Created at
-
Updated at
-