Structure database (LMSD)

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LM IDLMST01110014
Common NameGlaucasterol
Systematic Name(25S)-24S,26-cyclo-cholest-5-en-3β-ol
Synonyms22-dehydro-24,26-cyclocholesterol
Exact Mass
382.3236 (neutral)    Calculate m/z:
FormulaC27H42O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCalysterols and cyclopropyl sidechain derivatives [ST0111]
AbbrevST 27:3;O
PubChem CID13942376
InChIKeyHKPWFXFDARLLFG-BOESTMBDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H42O/c1-17(5-6-19-15-18(19)2)23-9-10-24-22-8-7-20-16-21(28)11-13-26(20,3)25(22)12-14-27(23,24)4/h5-7,17-19,21-25,28H,8-16H2,1-4H3/b6-5+/t17-,18+,19+,21+,22+,23-,24+,25+,26+,27-/m1/s1
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SMILES
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])/C=C/[C@@]3([H])C[C@]3([H])C)CC[C@@]21[H])[H]
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StatusActive
ReferencesMarine Sterols
R. G. Kerr and B. J. Baker
Marine sterols. Nat. Prod. Rep. 8, 465-497
Calculated physicochemical properties (?):
 Heavy Atoms28Rings5Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
417.37Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.06Molar
Refractivity
117.29