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(Q82896849)
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English
5-Ethyl-4,5-dihydroxy-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
group of stereoisomers with the chemical formula C₁₈H₂₇NO₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
353.183837584
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₇NO₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC1(O)C(=O)OCC2=CCN3CCC(OC(=O)C(C(C)C)C1O)C23
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC1(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C(C(C)C)[C@H]1O)[C@@H]23
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H27NO6/c1-4-18(23)15(20)13(10(2)3)16(21)25-12-6-8-19-7-5-11(14(12)19)9-24-17(18)22/h5,10,12-15,20,23H,4,6-9H2,1-3H3/t12-,13?,14-,15-,18?/m1/s1
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InChIKey
PHBXHCOARFTKGZ-PGJZFTLKSA-N
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CAS Registry Number
119565-25-2
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PubChem CID
189677
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42060829
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20923005
0 references
DSSTOX compound identifier
DTXCID501351871
0 references
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