(Q110204228)

English

[4-Acetyloxy-3-(4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl] 3-hydroxy-3-(hydroxymethyl)-5'-methyl-4'-(3-phenylprop-2-enoyloxy)spiro[3a,4,5,6,7,7a-hexahydro-1-benzofuran-2,2'-oxane]-6-carboxylate

group of stereoisomers with the chemical formula C₄₀H₅₄O₁₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

822.331014888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₄O₁₈

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canonical SMILES

O=C(OC1CC2(OCC1C)OC3CC(C(=O)OC4OC(C)C(O)C(OC(=O)C)C4OC5OC(C)C(O)C(OC(=O)C)C5O)CCC3C2(O)CO)C=CC=6C=CC=CC6

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found in taxon

Phyllanthus acuminatus

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stated in

Antineoplastic agents. 104. Isolation and structure of the Phyllanthus acuminatus Vahl (Euphorbiaceae) glycosides

Identifiers

InChI

InChI=1S/C40H54O18/c1-19-17-50-40(16-28(19)55-29(44)14-11-24-9-7-6-8-10-24)39(49,18-41)26-13-12-25(15-27(26)58-40)36(48)57-38-35(34(54-23(5)43)31(46)21(3)52-38)56-37-32(47)33(53-22(4)42)30(45)20(2)51-37/h6-11,14,19-21,25-28,30-35,37-38,41,45-47,49H,12-13,15-18H2,1-5H3

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InChIKey

ACTIYDVAQBUQMP-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ACTIYDVAQBUQMP-UHFFFAOYSA-N

(Q110204228)

[4-Acetyloxy-3-(4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl] 3-hydroxy-3-(hydroxymethyl)-5'-methyl-4'-(3-phenylprop-2-enoyloxy)spiro[3a,4,5,6,7,7a-hexahydro-1-benzofuran-2,2'-oxane]-6-carboxylate

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