Structure Database (LMSD)

Common Name
(22R,23R)-methylenecholesterol
Systematic Name
(22R,23R)-methylene-cholest-5-en-3β-ol
Synonyms
LM ID
LMST01060010
Status
Active
Exact Mass
Calculate m/z
398.354865
Formula
C28H46O
Abbrev
ST 28:2;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Gorgosterols and derivatives [ST0106]

String Representations

InChiKey (Click to copy)
MEMPEKZNYBWOLL-QEEIINJBSA-N
InChi (Click to copy)
InChI=1S/C28H46O/c1-17(2)14-19-15-23(19)18(3)24-8-9-25-22-7-6-20-16-21(29)10-12-27(20,4)26(22)11-13-28(24,25)5/h6,17-19,21-26,29H,7-16H2,1-5H3/t18-,19-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1
SMILES (Click to copy)

References

Other Databases

CHEBI ID
173043
PubChem CID
52931417

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 5
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 437.31
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.53
Molar Refractivity 121.93

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Created at
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Updated at
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