(Q104966338)

English

[(9S)-11-acetyloxy-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate

group of stereoisomers with the chemical formula C₃₂H₃₄O₁₁

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

594.2101119079998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₂H₃₄O₁₁

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canonical SMILES

O=C(OC1C=2C=C(OC)C(OC)=C(OC)C2C3=C(OC)C=4OCOC4C=C3C(OC(=O)C)C(C)C1(O)C)C=5C=CC=CC5

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isomeric SMILES

COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C(OC(C)=O)C(C)[C@](C)(O)C2OC(=O)c1ccccc1

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Identifiers

InChI

InChI=1S/C32H34O11/c1-16-25(42-17(2)33)19-13-22-27(41-15-40-22)29(39-7)23(19)24-20(14-21(36-4)26(37-5)28(24)38-6)30(32(16,3)35)43-31(34)18-11-9-8-10-12-18/h8-14,16,25,30,35H,15H2,1-7H3/t16?,25?,30?,32-/m0/s1

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InChIKey

CNTQTBYFFAKKFL-NWPSZMNASA-N

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PubChem CID

138112329

1 reference

based on heuristic

inferred from InChIKey

(Q104966338)

[(9S)-11-acetyloxy-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate

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