(Q115972329)

English

[3,9-dimethyl-2,7-dioxo-4-(trihydroxy-lambda4-sulfanyl)oxy-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-6-yl]methyl 3-methylbutanoate

group of stereoisomers with the chemical formula C₂₀H₂₈O₉S

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Statements

group of stereoisomers

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chemical compound

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444.145403476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₉S

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canonical SMILES

O=C1C=C(C)C2C1=C(COC(=O)CC(C)C)CC(OS(O)(O)O)C3C2OC(=O)C3C

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Scorzonera humilis

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Sesquiterpene lactones from Scorzonera austriaca

Scorzonera austriaca

1 reference

Sesquiterpene lactones from Scorzonera austriaca

Identifiers

InChI=1S/C20H28O9S/c1-9(2)5-15(22)27-8-12-7-14(29-30(24,25)26)17-11(4)20(23)28-19(17)16-10(3)6-13(21)18(12)16/h6,9,11,14,16-17,19,24-26H,5,7-8H2,1-4H3

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NPPKKZFIAYEJRW-UHFFFAOYSA-N

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1 reference

4 January 2023

based on heuristic

inferred from InChIKey

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