Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104240003
Common Name(-)-Stolondiol
Systematic Name(-)-7,8:10,11-diepoxy-4(16)-dolabellene-17,18-diol
Synonyms-
Exact Mass
336.2301 (neutral)    Calculate m/z:
FormulaC20H32O4
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Dolabellane and modified dolabellane diterpenoids [PR010424]
PubChem CID42608238
InChIKeyAIGZUIVVXKXMDB-JADWYGHVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O4/c1-13-5-6-15-19(12-21,23-15)11-16-20(24-16)14(17(2,3)22)8-10-1
8(20,4)9-7-13/h14-16,21-22H,1,5-12H2,2-4H3/t14-,15+,16+,18+,19-,20-/m0/s1
SMILES[C@]12(CO)O[C@@H]1CCC(=C)CC[C@]1(C)CC[C@@H](C(O)(C)C)[C@]31O[C@@H]3C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings4Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
337.64Topological Polar
Surface Area
65.52Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.68Molar
Refractivity
94.70