Structure database (LMSD)

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LM IDLMPR0103090012
Common Name(1Z,4E)-germacrene B
Systematic Name(1Z,4E)-germacra-1(10),4,7(11)-triene (1Z,5E)-1,5-dimethyl-8-(propan-2-ylidene)
cyclodeca-1,5-diene
Synonyms(1Z,5E)-8-isopropylidene-1,5-dimethylcyclodeca-1,5-diene
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Germacrane sesquiterpenoids [PR010309]
PubChem CID5371080
CHEBI ID49693
InChIKeyGXEGJTGWYVZSNR-LBJJKJHXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H
3/b13-6-,14-9+
SMILESC1C/C(=C(/C)\C)/CC=C(C)CCC=C1C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
247.78Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP5.18Molar
Refractivity
68.97