Structure database (LMSD)

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LM IDLMST01031045
Common NameDinosterone
Systematic Name4α,23,24R-trimethyl-5α-cholest-22E-en-3-one
Synonyms4α,23-dimethyl-5α-ergost-22E-en-3-one
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 CID52931359
InChIKeyVQFPSNWXBZIBRL-WALVZZJISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H50O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h17-18,20-27H,9-16H2,1-8H3/b19-17+/t20?,21-,22+,23+,24-,25+,26+,27+,29-,30+/m1/s1
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SMILES
C1C[C@@]2([C@@]3([H])CC[C@@]4([C@H](CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])[C@H](C)C1=O)C(C)/C=C(\C)/[C@H](C)C(C)C)C)C
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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 Bonds4
 van der Waals
Molecular Volume
481.63Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP8.33Molar
Refractivity
131.69