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(Q82882473)
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English
[(2S,8R,9S,11R,13S,14S,15R,16S)-7-ethyl-2,11-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-14-yl] acetate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
401.25660860000005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₃₅NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=C1C2CCC3(C1O)C1CC4C5(C)CCC(O)C4(C1N(CC)C5)C3C2OC(C)=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C1[C@@H](O)C23CC[C@@H]1[C@H](OC(C)=O)[C@H]2C12C(O)CCC4(C)CN(CC)[C@@H]1[C@H]3C[C@@H]42
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C24H35NO4/c1-5-25-11-22(4)8-7-17(27)24-16(22)10-15(20(24)25)23-9-6-14(12(2)21(23)28)18(19(23)24)29-13(3)26/h14-21,27-28H,2,5-11H2,1,3-4H3/t14-,15+,16-,17?,18-,19+,20+,21+,22?,23?,24?/m0/s1
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InChIKey
WYDGCJLTZZIEHA-REUGTSDXSA-N
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CAS Registry Number
111509-08-1
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PubChem CID
24892896
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68213815
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50912189
0 references
DSSTOX compound identifier
DTXCID001341213
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