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(Q82935367)
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English
(Hexahydro-1H-pyrrolizin-1-yl)methyl 4-(hexopyranosyloxy)-3,5-bis(3-methylbut-2-en-1-yl)benzoate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
559.3145173999999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₄₅NO₈
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)=CCc1cc(C(=O)OCC2CCN3CCCC23)cc(CC=C(C)C)c1OC1OC(CO)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)=CCc1cc(C(=O)OCC2CCN3CCC[C@H]23)cc(CC=C(C)C)c1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C31H45NO8/c1-18(2)7-9-20-14-23(30(37)38-17-22-11-13-32-12-5-6-24(22)32)15-21(10-8-19(3)4)29(20)40-31-28(36)27(35)26(34)25(16-33)39-31/h7-8,14-15,22,24-28,31,33-36H,5-6,9-13,16-17H2,1-4H3/t22?,24-,25-,26-,27+,28-,31-/m1/s1
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InChIKey
FQXZITIIHQHGBC-MOVKRCFWSA-N
0 references
CAS Registry Number
34137-24-1
0 references
PubChem CID
182168
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
65420022
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30955670
0 references
DSSTOX compound identifier
DTXCID901383658
0 references
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