Structure Database (LMSD)

Common Name
beta-Panasinsane
Systematic Name
Synonyms
LM ID
LMPR0103770001
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
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Panax ginseng (#4054)
Magnoliopsida (#3398)
Natural sesquiterpenoids.,
Nat Prod Rep, 2002
Pubmed ID: 12430727

String Representations

InChiKey (Click to copy)
LTMKWDWWHXRNMO-UCWKZMIHSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h12H,1,5-10H2,2-4H3/t12?,14-,15+/m1/s1
SMILES (Click to copy)
C1C(=C)[C@@]23C[C@@](C)(C)C2CC[C@@]3(C)CC1

Other Databases

PubChem CID
42608194

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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Updated at
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