Structure database (LMSD)

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LM IDLMPR0103730001
Common Name4(15)-Hirsutene
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 4Hirsutane and rearranged hisutane sesquiterpenoids [PR010373]
PubChem CID10442928
InChIKeyXEORYLRYWDQOAT-KYEXWDHISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-10-5-6-12-7-11-8-14(2,3)9-13(11)15(10,12)4/h11-13H,1,5-9H2,2-
4H3/t11-,12+,13+,15+/m0/s1
SMILES[C@@]12(C)C(=C)CC[C@]1([H])C[C@@]1([H])CC(C)(C)C[C@@]21[H]
StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2003, 20, 392-413.
Calculated physicochemical properties (?):
 Heavy Atoms15Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
228.34Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.42Molar
Refractivity
64.58