Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR04000001
Common NameDiploptene
Systematic NameHop-22(29)-ene
SynonymsHopene
Exact Mass
410.3913 (neutral)    Calculate m/z:
FormulaC30H50
CategoryPrenol Lipids [PR]
Main ClassHopanoids [PR04]
Sub Class-
PubChem Compound ID (CID)9978948
InChIKeyHHXYJYBYNZMZKX-PYQRSULMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-
15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25-,27+
,28+,29-,30-/m1/s1
SMILESCC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]1(C)CC[C@H]1[C@H](CC[C@@]1
2C)C(C)=C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
463.12Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP9.05Molar
Refractivity
129.26    
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