(Q105275458)

English

[(1R,2S,5R,6R,10S,13R,14S,16S)-13-acetyloxy-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] (Z)-2-methylbut-2-enoate

chemical compound

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type of chemical entity

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subclass of

[13-Acetyloxy-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

[(1R,5R,6R,13R,14S,16S)-13-acetyloxy-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

610.277797544 dalton

1 reference

1 reference

C₃₄H₄₂O₁₀

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canonical SMILES

O=C(OC1C2(OC(=O)C)C=C3C4CC(=O)OC(C5=COC=C5)C4(C)CCC3C(C2=O)(C)C(CC(=O)OC)C1(C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1C(C)(C)[C@H](CC(=O)OC)[C@]2(C)C(=O)[C@@]1(OC(C)=O)C=C1[C@@H]2CC[C@]2(C)[C@H]1CC(=O)O[C@H]2c1ccoc1

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found in taxon

Swietenia humilis

1 reference

stated in

Insecticidal Limonoids from Swietenia humilis and Cedrela salvadorensis

Identifiers

InChI

InChI=1S/C34H42O10/c1-9-18(2)28(38)43-30-31(4,5)24(15-25(36)40-8)33(7)22-10-12-32(6)23(14-26(37)42-27(32)20-11-13-41-17-20)21(22)16-34(30,29(33)39)44-19(3)35/h9,11,13,16-17,22-24,27,30H,10,12,14-15H2,1-8H3/b18-9-/t22-,23-,24-,27-,30-,32+,33+,34-/m0/s1

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InChIKey

UMAZUSDJQFBJAR-BPCFHZSPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UMAZUSDJQFBJAR-BPCFHZSPSA-N

(Q105275458)

[(1R,2S,5R,6R,10S,13R,14S,16S)-13-acetyloxy-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] (Z)-2-methylbut-2-enoate

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