Structure Database (LMSD)

H H H H
Common Name
(-)-allo-Aromadendrene
Systematic Name
Synonyms
LM ID
LMPR0103430003
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]
Aromadendrane sesquiterpenoids [PR010343]

String Representations

InChiKey (Click to copy)
ITYNGVSTWVVPIC-DHGKCCLASA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11-,12-,13-,14-/m1/s1
SMILES (Click to copy)
[C@]12([H])CC[C@@H](C)[C@@]1([H])[C@]1([H])C(C)(C)[C@]1([H])CCC2=C

References

Other Databases

CHEBI ID
166670
PubChem CID
10899740

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 4.27
Molar Refractivity 64.51

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Created at
-
Updated at
10th May 2022