Structure Database (LMSD)

OH
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
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]
Campherenane and santalane sesquiterpenoids [PR010380]

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
alpha_santalol
KEGG ID
C09719
CHEBI ID
10330
PubChem CID
6857559

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

Admin

Created at
-
Updated at
25th Nov 2021