Structure database (LMSD)

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LM IDLMST01031037
Common NameMutasterol
Systematic Name24-methylene-25,26-dimethylcholest-5-en-3β-ol
Synonyms-
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 CID14312386
InChIKeyOWMULTHDCROMGL-CMZGQUJUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H50O/c1-8-28(4,5)21(3)10-9-20(2)25-13-14-26-24-12-11-22-19-23(31)15-17-29(22,6)27(24)16-18-30(25,26)7/h11,20,23-27,31H,3,8-10,12-19H2,1-2,4-7H3/t20-,23+,24+,25-,26+,27+,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])CCC(=C)C(C)(C)CC)CC[C@@]21[H])[H]
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StatusActive
ReferencesBiosynthetic studies of marine lipids. 26. Elucidation of the biosynthesis of mutasterol, a sponge sterol with a quaternary carbon in its side chain
J Org Chem 1991
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
 logP8.62Molar
Refractivity
133.32