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
Formula
C30H50O
Exact Mass
Calculate m/z
426.386165
Sum Composition
ST 30:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cycloartanols and derivatives [ST0110]

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

Other Databases

KEGG ID
C02141
CHEBI ID
16653
PubChem CID
101690

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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