Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104140003
Common Name(+)-Beyerol
Systematic Name(+)-15-beyerene-3α,17,19-triol
Synonyms-
Exact Mass
320.2351 (neutral)    Calculate m/z:
FormulaC20H32O3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Beyerane diterpenoids [PR010414]
PubChem CID5352010
InChIKeyHMKFWGVTZPRBQX-QMNUTNMBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O3/c1-17-6-5-16(23)18(2,12-21)14(17)4-8-20-10-9-19(11-20,13-22)7-3-15(17)20/h9-10,14-16,21-23H,3-8,11-13H2,1-2H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1
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SMILES
[C@@H]1(O)CC[C@@]2(C)[C@]3([H])CC[C@@]4(C=C[C@]3(C4)CC[C@]2([H])[C@]1(C)CO)CO
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings4Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
328.85Topological Polar
Surface Area
60.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP3.75Molar
Refractivity
91.19