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(Q82947058)
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English
10a,12a-Dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1,2,3,5,6,6a,7,8,9,10,10a,11,12,12a-tetradecahydronaphtho[1,2-h]quinolin-8-ol
group of stereoisomers with the chemical formula C₂₈H₄₅NO
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
411.35011505999995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₅NO
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=C(CCC(C)C1CCN=C2C3=C(CCC21C)C1(C)CCC(O)CC1CC3)C(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C(CCC(C)C1CCN=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H45NO/c1-18(2)19(3)7-8-20(4)24-13-16-29-26-23-10-9-21-17-22(30)11-14-27(21,5)25(23)12-15-28(24,26)6/h18,20-22,24,30H,3,7-17H2,1-2,4-6H3/t20?,21-,22-,24?,27-,28+/m0/s1
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InChIKey
JZFNKAMRJSGWIF-GQECOPKMSA-N
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CAS Registry Number
50686-98-1
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PubChem CID
162092
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45844278
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50964921
0 references
DSSTOX compound identifier
DTXCID601392602
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