(Q105156491)

English

[(1R,2S,3S,7S,8R,9S,13S)-3-(hydroxymethyl)-2-methyl-13-[(Z)-2-methylbut-2-enoyl]oxy-6,10-dimethylidene-5,11-dioxo-4,12-dioxatricyclo[7.3.1.02,7]tridecan-8-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3-(Hydroxymethyl)-2-methyl-13-(2-methylbut-2-enoyloxy)-6,10-dimethylidene-5,11-dioxo-4,12-dioxatricyclo[7.3.1.02,7]tridecan-8-yl] 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

490.18389716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₁₀

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canonical SMILES

O=C(OC1C2OC(=O)C(=C)C1C(OC(=O)C3(OC3C)C)C4C(=C)C(=O)OC(CO)C24C)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@@H](OC(=O)/C(C)=C\C)[C@@H]1[C@H](OC(=O)[C@@]1(C)O[C@H]1C)[C@@H]1C(=C)C(=O)O[C@H](CO)[C@]12C

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found in taxon

Zinnia citrea

1 reference

stated in

An elemandiolide from Zinnia citrea

Identifiers

InChI

InChI=1S/C25H30O10/c1-8-10(2)20(27)32-18-15-11(3)21(28)34-19(18)24(6)14(9-26)31-22(29)12(4)16(24)17(15)33-23(30)25(7)13(5)35-25/h8,13-19,26H,3-4,9H2,1-2,5-7H3/b10-8-/t13-,14+,15-,16-,17-,18-,19-,24+,25-/m0/s1

0 references

InChIKey

LSFSZCQJZMAWLF-GQTHUVEASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LSFSZCQJZMAWLF-GQTHUVEASA-N

(Q105156491)

[(1R,2S,3S,7S,8R,9S,13S)-3-(hydroxymethyl)-2-methyl-13-[(Z)-2-methylbut-2-enoyl]oxy-6,10-dimethylidene-5,11-dioxo-4,12-dioxatricyclo[7.3.1.02,7]tridecan-8-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

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