(Q115946732)

English

11-[6-Carboxy-3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl]oxy-2,5,6,10,10,14-hexamethyl-16,22-dioxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-ene-21-carboxylic acid

group of stereoisomers with the chemical formula C₄₂H₅₈O₁₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

850.362315016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₈O₁₈

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canonical SMILES

O=C(O)C1OC(OC2C(OC(C(=O)O)C(O)C2O)OC3CCC4(C)C5C(=O)C=C6C7CC8(C(=O)O)C(=O)OC(C8)C7(C)CCC6(C)C5(C)CCC4C3(C)C)C(O)C(O)C1O

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found in taxon

Glycyrrhiza inflata

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stated in

Hepatoprotective triterpene saponins from the roots of Glycyrrhiza inflata.

Identifiers

InChI

InChI=1S/C42H58O18/c1-37(2)19-7-10-41(6)30(18(43)13-16-17-14-42(35(53)54)15-21(57-36(42)55)38(17,3)11-12-40(16,41)5)39(19,4)9-8-20(37)56-34-29(25(47)24(46)28(59-34)32(51)52)60-33-26(48)22(44)23(45)27(58-33)31(49)50/h13,17,19-30,33-34,44-48H,7-12,14-15H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)

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InChIKey

JHJRJJRSKZLTFQ-UHFFFAOYSA-N

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1 reference

2 January 2023

inferred from InChIKey

1 reference

(Q115946732)

11-[6-Carboxy-3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl]oxy-2,5,6,10,10,14-hexamethyl-16,22-dioxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-ene-21-carboxylic acid

Statements

Identifiers

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