Structure Database (LMSD)

Common Name
fucosterol
Systematic Name
(24E)-stigmasta-5,24(28)-dien-3β-ol
Synonyms
  • (24E)-24-n-propylidenecholesterol
  • (3beta,24E)-stigmasta-5,24(28)-dien-3-ol
  • (E)-stigmasta-5,24(28)-dien-3beta-ol
  • 24E-ethylidene-cholest-5-en-3beta-ol
  • fucosterin
  • trans-24-ethylidenecholesterol
LM ID
LMST01040255
Formula
C29H48O
Exact Mass
Calculate m/z
412.370515
Sum Composition
ST 29:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Stigmasterols and C24-ethyl derivatives [ST0104]

String Representations

InChiKey (Click to copy)
OSELKOCHBMDKEJ-JUGJNGJRSA-N
InChi (Click to copy)
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
SMILES (Click to copy)
C1C[C@H](O)CC2=CC[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@@H](CC/C(=C\C)/C(C)C)C)CC[C@]13[H]

Other Databases

KEGG ID
C08817
CHEBI ID
27865
PubChem CID
5281328
Cayman ID
21858

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 464.33
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.23
Molar Refractivity 128.70

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Created at
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Updated at
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