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(Q82970215)
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English
1,7-Diethynyl-10a-methylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol
group of stereoisomers with the chemical formula C₂₁H₂₈O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
312.208930136
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C#CC1(O)CC2CCC3C(CCC4(C)C3CCC4(O)C#C)C2C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C#CC1(O)CC2CCC3C(CCC4(C)[C@H]3CC[C@@]4(O)C#C)C2C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H28O2/c1-4-20(22)12-14-6-7-16-15(17(14)13-20)8-10-19(3)18(16)9-11-21(19,23)5-2/h1-2,14-18,22-23H,6-13H2,3H3/t14?,15?,16?,17?,18-,19?,20?,21-/m0/s1
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InChIKey
BSPAFVDFUSGBNP-SAQJRPSSSA-N
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CAS Registry Number
64675-09-8
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PubChem CID
3049348
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
48915836
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50983298
0 references
DSSTOX compound identifier
DTXCID801410541
0 references
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