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(Q82926741)
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English
4-Methyl-4,9:5,19-dicyclo-9,10-secocholestan-1-one
chemical compound
4a,6a-dimethyl-7-(6-methylheptan-2-yl)hexadecahydro-2h-cyclopenta[a]cyclopropa[j]phenanthren-2-one
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
398.354866092
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₆O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CCCC(C)C1CCC2C3CCC45CC4C(=O)CCC5(C)C3CCC12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H46O/c1-18(2)7-6-8-19(3)21-9-10-22-20-11-16-28-17-24(28)25(29)13-15-27(28,5)23(20)12-14-26(21,22)4/h18-24H,6-17H2,1-5H3
0 references
InChIKey
IMSFSSVAFPMINE-UHFFFAOYSA-N
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CAS Registry Number
2602-40-6
0 references
2429-48-3
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PubChem CID
288164
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62549877
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40948912
0 references
DTXSID40302116
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DSSTOX compound identifier
DTXCID80954658
0 references
DTXCID40253250
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NSC number
148898
0 references
148897
0 references
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