(Q105270893)

English

[(1S,2S,5R,6R,10S,11R,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]heptadecan-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)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadecan-14-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

[(1S,2S,5R,6R,10S,11R,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]heptadecan-14-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

554.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,5R,6R,10S,11R,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]heptadecan-14-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,5R,6R,10S,11S,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]heptadecan-14-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₂O₈

0 references

canonical SMILES

O=C(OC1C2C(=O)C(C)(C3CCC4(C)C(OC(=O)CC4C3C2)C5=COC=C5)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]1[C@@H]2C[C@H]3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@](C)(C2=O)[C@@H](CC(=O)OC)C1(C)C

0 references

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/C32H42O8/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/h8,10,12,16,19-23,27-28H,9,11,13-15H2,1-7H3/b17-8+/t19-,20+,21-,22-,23-,27-,28+,31+,32-/m0/s1

0 references

InChIKey

UEGIMPBBSWHIII-RLDZTJEBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UEGIMPBBSWHIII-RLDZTJEBSA-N

(Q105270893)

[(1S,2S,5R,6R,10S,11R,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]heptadecan-14-yl] (E)-2-methylbut-2-enoate

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Identifiers

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