Structure database (LMSD)

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LM IDLMPR0103100001
Common NameBicyclogermacrene
Systematic Name-
Synonyms-
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Lepidozanes and bicyclogermacrane sesquiterpenoids [PR010310]
PubChem CID13894537
InChIKeyVPDZRSSKICPUEY-JEPMYXAXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESC1C=C(C)CC[C@H]2C(C)(C)[C@H]2C=C(C)C1
StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2004, 21, 669-693.
Calculated physicochemical properties (?):
 Heavy Atoms15Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
238.06Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.73Molar
Refractivity
66.74