Structure database (LMSD)

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LM IDLMST01060010
Common Name(22R,23R)-methylenecholesterol
Systematic Name(22R,23R)-methylene-cholest-5-en-3β-ol
Synonyms-
Exact Mass
398.3549 (neutral)    Calculate m/z:
FormulaC28H46O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassGorgosterols and derivatives [ST0106]
AbbrevST 28:2;O
PubChem CID52931417
InChIKeyMEMPEKZNYBWOLL-QEEIINJBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings5Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
437.31Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.53Molar
Refractivity
121.93