Structure Database (LMSD)

Common Name
beta-himachalene
Systematic Name
(6xi)-himachal-1(11),4-diene 3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[7]annulene
Synonyms
LM ID
LMPR0103480005
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)
LCOSCMLXPAQCLQ-UHFFFAOYSA-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/h10,14H,5-9H2,1-4H3
SMILES (Click to copy)
C12C(=C(C)CCCC1(C)C)CCC(C)=C2

References

Other Databases

CHEBI ID
49210
PubChem CID
15095

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 4.87
Molar Refractivity 66.81

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Updated at
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