Structure Database (LMSD)

Common Name
4(15)-Hirsutene
Systematic Name
Synonyms
LM ID
LMPR0103730001
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]
Hirsutane and rearranged hisutane sesquiterpenoids [PR010373]

References

Reference
Fraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2003, 20, 392-413.

String Representations

InChiKey (Click to copy)
XEORYLRYWDQOAT-KYEXWDHISA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10-5-6-12-7-11-8-14(2,3)9-13(11)15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m0/s1
SMILES (Click to copy)
[C@@]12(C)C(=C)CC[C@]1([H])C[C@@]1([H])CC(C)(C)C[C@@]21[H]

Other Databases

PubChem CID
10442928

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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Updated at
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