Structure Database (LMSD)

Common Name
(1S,2R,4S)-(-)-Bornyl acetate
Systematic Name
Synonyms
LM ID
LMPR0102120014
Formula
C12H20O2
Exact Mass
Calculate m/z
196.14633
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Bicyclic monoterpenoids [PR010212]

String Representations

InChiKey (Click to copy)
KGEKLUUHTZCSIP-SQLBVSGCSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m1/s1
SMILES (Click to copy)
C12([C@]([H])(OC(=O)C)CC(CC1)C2(C)C)C

Other Databases

KEGG ID
C09837
CHEBI ID
157
PubChem CID
442460

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 2
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 206.38
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.05
Molar Refractivity 55.30

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Created at
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Updated at
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