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4alpha-methyl-5beta-cholestan-3beta-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-methylcholestane steroid
1 reference
based on heuristic
inferred from SMILES
mass
402.38616622
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(3alpha,4alpha,5alpha)-4-Methylcholestan-3-ol
1 reference
based on heuristic
inferred from InChI
4alpha-Methyl-5alpha-cholestan-3beta-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₅₀O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CCCC(C)C1CCC2C3CCC4C(C)C(O)CCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1C[C@@]2([C@@]3([H])CC[C@]4([C@]([H])([C@]3([H])CC[C@]2([H])[C@H](C)[C@H]1O)CC[C@]4([H])[C@H](C)CCCC(C)C)C)C
0 references
Identifiers
InChI
InChI=1S/C28H50O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-26,29H,7-17H2,1-6H3/t19-,20+,21+,22-,23-,24+,25+,26+,27-,28+/m1/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
AMNBDMZNFAQUHN-ZJPBYVRLSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
99571506
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AMNBDMZNFAQUHN-ZJPBYVRLSA-N
SureChEMBL ID
SCHEMBL26642635
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AMNBDMZNFAQUHN-ZJPBYVRLSA-N
UniChem compound ID
110409666
1 reference
stated in
UniChem
LIPID MAPS ID
LMST01010140
0 references
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