Structure Database (LMSD)

Common Name
Cystosterol
Systematic Name
(20,23-cyclo)-cholest-5-en-3β-ol
Synonyms
LM ID
LMST01010286
Status
Active
Exact Mass
Calculate m/z
384.339215
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)
DGMBRFFGNNFDAC-DZESUMFASA-N
InChi (Click to copy)
InChI=1S/C27H44O/c1-17(2)14-19-16-27(19,5)24-9-8-22-21-7-6-18-15-20(28)10-12-25(18,3)23(21)11-13-26(22,24)4/h6,17,19-24,28H,7-16H2,1-5H3/t19?,20-,21-,22-,23-,24-,25-,26-,27?/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5(C(CC(C)C)C5)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cystoseira (#74094)
Phaeophyceae (#2870)
[Study fo sterols from brown seaweeds of the genus Cytoseira. Identification by gas-liquid chromatography coupled with mass spectrometry (author's transl)].,
Biochim Biophys Acta, 1977
Pubmed ID: 857897

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 5
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 420.01
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.28
Molar Refractivity 117.38

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Created at
-
Updated at
9th Mar 2021