Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104150006
Common Name(+)-Serradiol
Systematic Name(+)-13-atisene-16β,17-diol
Synonyms-
Exact Mass
304.2402 (neutral)    Calculate m/z:
FormulaC20H32O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Villanovane, atisane, trachylobane and helvifulvane diterpenoids [PR010415]
PubChem CID42608226
InChIKeyYLPLMBSVCFKOSP-IYTRGPQLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O2/c1-17(2)7-4-8-18(3)15(17)6-10-19-9-5-14(11-16(18)19)20(22,12-1
9)13-21/h5,9,14-16,21-22H,4,6-8,10-13H2,1-3H3/t14?,15-,16+,18-,19-,20-/m1/s1
SMILES-
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
316.26Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.49Molar
Refractivity
89.29