Structure database (LMSD)

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LM IDLMST01031055
Common NameRemeisterol
Systematic Name23,24,26-trimethylcholest-5,24(28)-dien-3β-ol
Synonyms23,26-dimethyl-24-methylene-cholest-5-en-3β-ol
Exact Mass
426.3862 (neutral)    Calculate m/z:
FormulaC30H50O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassErgosterols and C24-methyl derivatives [ST0103]
AbbrevST 30:2;O
PubChem CID21123654
InChIKeyOERZNDZNQUPHIT-ABBVIPMFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H50O/c1-8-19(2)22(5)20(3)17-21(4)26-11-12-27-25-10-9-23-18-24(31)13-15-29(23,6)28(25)14-16-30(26,27)7/h9,19-21,24-28,31H,5,8,10-18H2,1-4,6-7H3/t19?,20?,21-,24+,25+,26-,27+,28+,29+,30-/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])CC(C)C(=C)C(C)CC)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 Atoms31Rings4Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
481.63Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.48Molar
Refractivity
133.25