Structure Database (LMSD)

Common Name
Remeisterol
Systematic Name
23,24,26-trimethylcholest-5,24(28)-dien-3β-ol
Synonyms
  • 23,26-dimethyl-24-methylene-cholest-5-en-3beta-ol
LM ID
LMST01031055
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]
Ergosterols and C24-methyl derivatives [ST0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sinularia (#51814)
Anthozoa (#6101)
Marine Sterols,
Nat Prod Rep, 1991

String Representations

InChiKey (Click to copy)
OERZNDZNQUPHIT-ABBVIPMFSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-8-19(2)22(5)20(3)17-21(4)26-11-12-27-25-10-9-23-18-24(31)13-15-29(23,6)28(25)14-16-30(26,27)7/h9,19-21,24-28,31H,5,8,10-18H2,1-4,6-7H3/t19?,20?,21-,24+,25+,26-,27+,28+,29+,30-/m1/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC(C)C(=C)C(C)CC)CC[C@@]21[H])[H]

Other Databases

CHEBI ID
173009
PubChem CID
21123654

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 481.63
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.48
Molar Refractivity 133.25

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Updated at
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