Structure Database (LMSD)

Common Name
alpha-santalol
Systematic Name
(2Z)-5-[(2R,3R,4S)-2,3-dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl]-2-methylpent-2-en-1-ol
Synonyms
  • (+)-alpha-Santalol
  • (Z)-alpha-Santalol
  • Sandal
  • Santalol A
  • [R(Z)]-5-(2,3-dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl)-2-methyl-2-penten-1-ol
  • alpha-Santalol
  • cis-alpha-Santalol
  • d-alpha-Santalol
LM ID
LMPR0103800002
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)
PDEQKAVEYSOLJX-RBRDXOGNSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11-,12+,13?,14-,15+/m1/s1
SMILES (Click to copy)
C1C2[C@@]3(C)[C@](C)(CC/C=C(\CO)/C)[C@@H]1C[C@@H]23

References

Taxonomy Information

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

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 233.33
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.67
Molar Refractivity 66.48

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Created at
-
Updated at
25th Nov 2021