Structure database (LMSD)

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LM IDLMPR0103290001
Common NameBrasila-5,10-diene
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 4Brasilane sesquiterpenoids [PR010329]
PubChem CID15484922
InChIKeyKUBSAWBFAOYMLQ-SMDDNHRTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-10(2)13-8-15(4,5)9-14-11(3)6-7-12(13)14/h11,14H,1,6-9H2,2-5H3
/t11-,14+/m0/s1
SMILESC12CC[C@H](C)[C@@]1([H])CC(C)(C)CC=2C(=C)C
StatusActive
ReferencesPhytochemistry. 1999, 51, 517-523.
Calculated physicochemical properties (?):
 Heavy Atoms15Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
238.06Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.73Molar
Refractivity
66.74