Structure Database (LMSD)

O H
Common Name
7(14)-Isodaucen-10-one
Systematic Name
Synonyms
LM ID
LMPR0103560001
Formula
C15H24O
Exact Mass
Calculate m/z
220.182715
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]
Isodaucane sesquiterpenoids [PR010356]

String Representations

InChiKey (Click to copy)
JBOONPKUPONSIB-KCQAQPDRSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(12)9-11(3)5-6-14(15)16/h10,12-13H,3,5-9H2,1-2,4H3/t12-,13-,15+/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC(=C)CCC(=O)[C@]1(C)CC[C@H]2C(C)C

References

Other Databases

PubChem CID
42608172

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 246.85
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.98
Molar Refractivity 67.16

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Created at
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Updated at
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