Structure Database (LMSD)

Common Name
beta-santalol
Systematic Name
(2Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidenebicyclo[2.2.1]hept-2-yl]pent-2-en-1-ol
Synonyms
  • (1S-(1alpha,2alpha(Z),4alpha))-2-Methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-ol
  • 2-Methyl-5-(2-methyl-3-methylene-2-norbornyl)-2-penten-1-ol
  • beta-Santalenol
  • beta-Santalol
LM ID
LMPR0103800003
Status
Active
Exact Mass
Calculate m/z
220.182715
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
OJYKYCDSGQGTRJ-GQYWAMEOSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15+/m1/s1
SMILES (Click to copy)
C1C[C@@H]2C[C@H]1[C@@](C)(CC/C=C(\CO)/C)C2=C

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 246.85
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.98
Molar Refractivity 68.64

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Created at
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Updated at
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