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
Formula
C15H24O
Exact Mass
Calculate m/z
220.182715
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Campherenane and santalane sesquiterpenoids [PR010380]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Santalum album (#35974)
Magnoliopsida (#3398)
The stereochemistry of α- and β-santalol,
Tetrahedron Letts, 1963

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

Other Databases

Wikipedia
beta-santalol
KEGG ID
C09720
HMDB ID
HMDB0036716
CHEBI ID
10441
PubChem CID
6857681

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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Updated at
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