Structure Database (LMSD)

Common Name
Bicyclogermacrene
Systematic Name
Synonyms
LM ID
LMPR0103100001
Status
Active
Exact Mass
Calculate m/z
204.1878
Formula
C15H24
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Lepidozanes and bicyclogermacrane sesquiterpenoids [PR010310]

String Representations

InChiKey (Click to copy)
VPDZRSSKICPUEY-JEPMYXAXSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13-,14+/m1/s1
SMILES (Click to copy)
C1C=C(C)CC[C@H]2C(C)(C)[C@H]2C=C(C)C1

References

Reference
Fraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2004, 21, 669-693.

Other Databases

CHEBI ID
63709
PubChem CID
13894537

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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Updated at
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