Structure Database (LMSD)

Common Name
Diploptene
Systematic Name
Hop-22(29)-ene
Synonyms
  • Hopene
LM ID
LMPR04000001
Formula
C30H50
Exact Mass
Calculate m/z
410.39125
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Hopanoids [PR04]

String Representations

InChiKey (Click to copy)
HHXYJYBYNZMZKX-PYQRSULMSA-N
InChi (Click to copy)
InChI=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
SMILES (Click to copy)
[C@]12(CC[C@@]3([H])[C@](C)(C)CCC[C@]3(C)[C@@]1([H])CC[C@]1([H])[C@@]3(C)CC[C@H](C(=C)C)[C@]3([H])CC[C@@]21C)C

References

Other Databases

KEGG ID
C06310
CHEBI ID
4648
PubChem CID
92155

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 463.12
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.05
Molar Refractivity 129.26

Admin

Created at
-
Updated at
-