Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104110003
Common Name(-)-13(16),14-Spongiadiene
Systematic Name-
Synonyms-
Exact Mass
286.2297 (neutral)    Calculate m/z:
FormulaC20H30O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Isocopalane and spongiane diterpenoids [PR010411]
PubChem CID497952
InChIKeyYMOPWLIPDPZTLZ-LYKJFQGKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O/c1-18(2)9-5-10-20(4)16(18)8-11-19(3)15-13-21-12-14(15)6-7-17(19
)20/h12-13,16-17H,5-11H2,1-4H3/t16-,17?,19-,20-/m0/s1
SMILESC1CC[C@]2(C)C3CCC4=COC=C4[C@]3(C)CC[C@@]2([H])C1(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings1Rotatable Bonds0
 van der Waals
Molecular Volume
297.73Topological Polar
Surface Area
13.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.73Molar
Refractivity
86.33