(Q82900479)

English

Ethyl 4-{[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}benzoate

group of stereoisomers with the chemical formula C₃₀H₂₉NO₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

547.1842315079999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₂₉NO₉

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based on heuristic

inferred from SMILES

canonical SMILES

CCOC(=O)c1ccc(NC2c3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC23)OCO4)cc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCOC(=O)c1ccc(N[C@H]2c3cc4c(cc3[C@H](c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC32)OCO4)cc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C30H29NO9/c1-4-37-29(33)15-5-7-17(8-6-15)31-27-19-12-22-21(39-14-40-22)11-18(19)25(26-20(27)13-38-30(26)34)16-9-23(35-2)28(32)24(10-16)36-3/h5-12,20,25-27,31-32H,4,13-14H2,1-3H3/t20?,25-,26?,27-/m0/s1

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InChIKey

ZNWQWFQNGLVVJN-CTUKQDLSSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID201354838

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(Q82900479)

Ethyl 4-{[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}benzoate

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