Structure Database (LMSD)

Common Name
(-)-Modhephene
Systematic Name
Synonyms
LM ID
LMPR0103780001
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Modhephane sesquiterpenoids [PR010378]

String Representations

InChiKey (Click to copy)
APGXRXFCBZKIAN-TUKIKUTGSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11-6-9-14-7-5-8-15(11,14)12(2)10-13(14,3)4/h10-11H,5-9H2,1-4H3/t11-,14-,15+/m0/s1
SMILES (Click to copy)
[C@]123C(C)=CC(C)(C)[C@]1(CCC2)CC[C@@H]3C

Other Databases

PubChem CID
42608195

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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