Structure Database (LMSD)

OH H H
Common Name
3-Copaene-2-ol
Systematic Name
Synonyms
LM ID
LMPR0103830003
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]
Copaane sesquiterpenoids [PR010383]

String Representations

InChiKey (Click to copy)
LTXWSWWXNHYXCW-SHBJXTLMSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10-14,16H,5-6H2,1-4H3/t10-,11+,12-,13?,14+,15?/m1/s1
SMILES (Click to copy)
C1[C@H](O)[C@]2([C@]3([H])[C@@H](C(C)C)CCC2(C3C=1C)C)[H]

References

Other Databases

PubChem CID
42608202

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 229.53
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.53
Molar Refractivity 66.41

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Created at
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Updated at
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