Structure database (LMSD)

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LM IDLMPR0103800003
Common Nameβ-santalol (W)
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-(1α,2α(Z),4α))-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; β-
Santalenol; β-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 CID6857681
KEGG IDC09720
HMDB IDHMDB0036716
CHEBI ID10441
InChIKeyOJYKYCDSGQGTRJ-GQYWAMEOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESC1C[C@@H]2C[C@H]1[C@@](C)(CC/C=C(\CO)/C)C2=C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings2Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
246.85Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP3.98Molar
Refractivity
68.64