(Q105212666)

English

Methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate

group of stereoisomers with the chemical formula C₃₂H₄₆O₁₆

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Statements

instance of

group of stereoisomers

0 references

1 reference

686.278585392 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₆O₁₆

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canonical SMILES

O=C(OC1C(=O)OC2CC3C(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)CC3(C)C5C(O)C(O)C6(OCC25C16)C(=O)OC)C=C(C)C

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found in taxon

Brucea javanica

1 reference

stated in

Quassinoid Xylosides, Javanicosides G and H, from Seeds of Brucea javanica

Identifiers

InChI

InChI=1S/C32H46O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,12-16,18-26,28,33,35-40H,7-10H2,1-5H3

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InChIKey

POUGEQYQLBGWLB-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105212666)

Methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate

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