Structure Database (LMSD)

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
LM ID
LMPR0103700005
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Zizaane and prezizaane sesquiterpenoids [PR010370]

String Representations

InChiKey (Click to copy)
CYLSPJUZBPWJGC-PJRDJYAKSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12?,15+/m0/s1
SMILES (Click to copy)
C1[C@@H]2CC[C@]31C(CC[C@@H]3C)=C(C)C2(C)C

References

Other Databases

CHEBI ID
51458
PubChem CID
23724686

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 228.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.56
Molar Refractivity 64.65

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Created at
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Updated at
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