Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103600002
Common Name(+)-2-Sterpurene-6-ol
Systematic Name-
Synonyms-
Exact Mass
220.1827 (neutral)    Calculate m/z:
FormulaC15H24O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Sterpurane sesquiterpenoids [PR010360]
PubChem CID15625665
InChIKeyBFLPKQMMVQBPAM-CQDKDKBSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24O/c1-10-12-9-13(2,3)7-11(12)8-14(4)5-6-15(10,14)16/h11,16H,5-9H2,
1-4H3/t11-,14-,15-/m0/s1
SMILES[C@@]12(C)CC[C@]1(O)C(C)=C1CC(C)(C)C[C@@]1([H])C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
237.13Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP3.96Molar
Refractivity
66.62