(Q105213846)

English

N-[(3R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.0²,⁸.0³,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]ethanimidic acid

group of stereoisomers with the chemical formula C₂₁H₂₁NO₆

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Statements

group of stereoisomers

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chemical compound

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383.13688739199995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₁NO₆

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canonical SMILES

COC1=CC2C3=C(C(NC(C)=O)CCc4cc5c(c(OC)c43)OCO5)C2C1=O

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isomeric SMILES

COC1=C[C@H]2C3=C(C2C1=O)[C@@H](NC(C)=O)CCc1cc2c(c(OC)c13)OCO2

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Identifiers

InChI=1S/C21H21NO6/c1-9(23)22-12-5-4-10-6-14-20(28-8-27-14)21(26-3)15(10)16-11-7-13(25-2)19(24)17(11)18(12)16/h6-7,11-12,17H,4-5,8H2,1-3H3,(H,22,23)/t11-,12-,17?/m0/s1

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PRPBEOCVIJZVHM-FAGLKTCQSA-N

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1 reference

based on heuristic

inferred from InChIKey

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