Structure database (LMSD)

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LM IDLMPR0103800002
Common Nameα-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(+)-α-Santalol;(Z)-α-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; α-Santalol;
cis-α-Santalol; d-α-Santalol
Exact Mass
220.1827 (neutral)    Calculate m/z:
FormulaC15H24O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Campherenane and santalane sesquiterpenoids [PR010380]
PubChem CID6857559
KEGG IDC09719
CHEBI ID10330
InChIKeyPDEQKAVEYSOLJX-BKKZDLJQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESC1C2C3C[C@@]1([H])[C@@](C)(CC/C=C(\CO)/C)[C@]23C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings4Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
233.33Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP3.67Molar
Refractivity
66.48