Structure Database (LMSD)

Common Name
(+)-beta-Cedrene
Systematic Name
Synonyms
LM ID
LMPR0103690002
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]
Cedrane and isocedrane sesquiterpenoids [PR010369]

String Representations

InChiKey (Click to copy)
DYLPEFGBWGEFBB-YKURLNKLSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12?,13+,15+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@@H](C)[C@]31CCC(=C)[C@@H](C3)C2(C)C

Other Databases

PubChem CID
12302597

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 4.42
Molar Refractivity 64.58

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Created at
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Updated at
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