Structure Database (LMSD)

H H
Common Name
(-)-alpha-Himachalene
Systematic Name
(-)-2,7(14)-himachaladiene
Synonyms
  • (-)-2,7(14)-himachaladiene
LM ID
LMPR0103480001
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
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]
C15 isoprenoids (sesquiterpenes) [PR0103]
Lippifoliane and himachalane sesquiterpenoids [PR010348]

String Representations

InChiKey (Click to copy)
ZJSIKVDEOWWVEH-KBPBESRZSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3/t13-,14-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CCC(C)=C[C@]1([H])C(C)(C)CCCC2=C

References

Other Databases

CHEBI ID
49218
PubChem CID
11830551

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 238.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.73
Molar Refractivity 66.74

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Created at
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Updated at
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