Structure database (LMSD)

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LM IDLMPR0103700005
Common Name(+)-epi-isozizaene
Systematic Name(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene
Synonyms(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-ene
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Zizaane and prezizaane sesquiterpenoids [PR010370]
PubChem CID23724686
CHEBI ID51458
InChIKeyCYLSPJUZBPWJGC-PJRDJYAKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H
3/t10-,12?,15+/m0/s1
SMILESC1[C@@H]2CC[C@]31C(CC[C@@H]3C)=C(C)C2(C)C
MS Spectra-     
StatusActive
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
 logP4.56Molar
Refractivity
64.65