Structure database (LMSD)

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LM IDLMPR0103830001
Common Name5,10-Epoxy-muurolane
Systematic Name-
Synonyms-
Exact Mass
220.1827 (neutral)    Calculate m/z:
FormulaC15H24O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Copaane sesquiterpenoids [PR010383]
PubChem CID42608200
InChIKeyOAXPUWUDEOULDN-BHPKHCPMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-15)13(11)12/h9,11-13H,5-8H
2,1-4H3/t11-,12-,13-,15+/m1/s1
SMILESC1C[C@]2([H])[C@@]3([H])[C@@H](C(C)C)CC[C@@]2(OC3=C1C)C
StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2001, 18, 650-673.
Calculated physicochemical properties (?):
 Heavy Atoms16Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
237.13Topological Polar
Surface Area
11.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP4.43Molar
Refractivity
66.48