(Q105124607)

English

[(1R,2S,5R,6R,13S,14R,16S)-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]heptadeca-9,11-dien-14-yl] (2S)-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[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]heptadeca-9,11-dien-14-yl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

552.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₈

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canonical SMILES

O=C1OC(C2=COC=C2)C3(C(=C1)C4=CC5C(=O)C(C)(C4CC3)C(CC(=O)OC)C(C)(C)C5OC(=O)C(C)CC)C

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isomeric SMILES

CC[C@H](C)C(=O)O[C@@H]1[C@@H]2C=C3C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@](C)(C2=O)[C@@H](CC(=O)OC)C1(C)C

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found in taxon

Xylocarpus granatum

1 reference

stated in

Granatumins A-G, limonoids from the seeds of a Krishna mangrove, Xylocarpus granatum

Identifiers

InChI

InChI=1S/C32H40O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h10,12-14,16-17,20-21,23,27-28H,8-9,11,15H2,1-7H3/t17-,20+,21-,23-,27-,28+,31+,32+/m0/s1

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InChIKey

JBVMJRIIFFXUFB-MDZWVGLPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JBVMJRIIFFXUFB-MDZWVGLPSA-N

1 reference

(Q105124607)

[(1R,2S,5R,6R,13S,14R,16S)-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]heptadeca-9,11-dien-14-yl] (2S)-2-methylbutanoate

Statements

Identifiers

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