Structure database (LMSD)

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LM IDLMST01110008
Common Name24,26-cyclocholesterol
Systematic Name(25S)-24S,26-cyclocholest-5-en-3β-ol
Synonyms-
Exact Mass
384.3392 (neutral)    Calculate m/z:
FormulaC27H44O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCalysterols and cyclopropyl sidechain derivatives [ST0111]
AbbrevST 27:2;O
PubChem CID14680449
InChIKeyKQRCOBZIWSKXCB-POEGTNMLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H44O/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/h7,17-19,21-25,28H,5-6,8-16H2,1-4H3/t17-,18+,19+,21+,22+,23-,24+,25+,26+,27-/m1/s1
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SMILES
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@]5([H])C[C@]5([H])C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1
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StatusActive
ReferencesH. Danielsson and J. Sjovall.
Sterols and bile acids.
Elsevier Science Publishers, Amsterdam 1985 pp. 447.
Calculated physicochemical properties (?):
 Heavy Atoms28Rings5Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
420.01Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.28Molar
Refractivity
117.38