(Q105287377)

English

[(1R,2S,5R,6R,10S,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]heptadec-11-en-14-yl] (2R)-2-methylbutanoate

chemical compound

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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]heptadec-11-en-14-yl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

(1R,2S,5R,6R,10S,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]heptadec-11-en-14-yl 2-methylbutanoate

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,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]heptadec-11-en-14-yl] (2S)-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

[(1R,2R,5R,6R,10S,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]heptadec-11-en-14-yl] (2R)-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₂O₈

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canonical SMILES

O=C(OC)CC1C2(C(=O)C(C=C3C4CC(=O)OC(C5=COC=C5)C4(C)CCC32)C(OC(=O)C(C)CC)C1(C)C)C

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isomeric SMILES

CC[C@@H](C)C(=O)O[C@@H]1[C@@H]2C=C3[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

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found in taxon

Cipadessa baccifera

2 references

stated in

Components of Cipadessa baccifera

stated in

Limonoids From Cipadessa Fruticosa

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/h10,12-13,16-17,20-23,27-28H,8-9,11,14-15H2,1-7H3/t17-,20-,21+,22+,23+,27+,28-,31-,32-/m1/s1

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InChIKey

VJNCOPXREONOMO-LLADVDKMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105287377)

[(1R,2S,5R,6R,10S,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]heptadec-11-en-14-yl] (2R)-2-methylbutanoate

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