(Q104993523)

English

[(1R,2S,5S,6S,11S,13R,14S,16R)-6-(furan-3-yl)-11-hydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-14-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[6-(Furan-3-yl)-11-hydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-14-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

568.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,5R,6R,11R,13R,14R,16S)-6-(furan-3-yl)-11-hydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-14-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₀O₉

0 references

canonical SMILES

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

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1[C@H]2C[C@@]3(O)C4=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

Xylogranatins A-D, new mexicanolides from the fruit of a Chinese mangrove Xylocarpus granatum

Identifiers

InChI

InChI=1S/C32H40O9/c1-8-17(2)28(36)41-27-19-15-32(37)20(31(6,25(19)35)21(29(27,3)4)13-23(33)38-7)9-11-30(5)22(32)14-24(34)40-26(30)18-10-12-39-16-18/h8,10,12,14,16,19-21,26-27,37H,9,11,13,15H2,1-7H3/b17-8+/t19-,20-,21+,26+,27-,30-,31-,32-/m0/s1

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InChIKey

FDDAHJOPFVIDEZ-LBTXODHTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104993523)

[(1R,2S,5S,6S,11S,13R,14S,16R)-6-(furan-3-yl)-11-hydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-14-yl] (E)-2-methylbut-2-enoate

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Identifiers

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