Structure Database (LMSD)

Common Name
cycloeucalenol
Systematic Name
4α,14-dimethyl-9β,19-cyclo-5α-ergost-24(28)-en-3β-ol
Synonyms
  • 3beta,4alpha,5alpha-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-ol
  • Cycloeucalenol
  • cycloeucalenol
  • cycloleucalenol
LM ID
LMST01100011
Status
Active
Exact Mass
Calculate m/z
426.386165
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HUNLTIZKNQDZEI-PGFZVWMDSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,25+,26+,27-,28+,29-,30+/m1/s1
SMILES (Click to copy)
[C@@]123CC[C@]4(C)[C@H](CC[C@@]4(C)[C@]1([H])CC[C@@]1([H])[C@H](C)[C@H](CC[C@]21C3)O)[C@H](C)CCC(=C)C(C)C

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 471.91
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.31
Molar Refractivity 131.16

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Created at
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Updated at
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