(Q105351505)

English

methyl 2-[(1R,2R,5R,6R,13S,14S,16S)-14-acetyloxy-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate

chemical compound

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instance of

type of chemical entity

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1 reference

Methyl 2-[14-acetyloxy-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

512.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl 2-[(1S,2R,5R,6R,13R,14S,16S)-14-acetyloxy-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl 2-[(1R,2S,5R,6R,13S,14R,16S)-14-acetyloxy-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl 2-[(1R,2R,5R,6R,13S,14R,16S)-14-acetyloxy-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₈

0 references

canonical SMILES

O=C(OC1C2C(=O)C(C)(C3C(=C4CC(=O)OC(C5=COC=C5)C4(C)CC3)C2)C(CC(=O)OC)C1(C)C)C

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isomeric SMILES

COC(=O)C[C@H]1C(C)(C)[C@@H](OC(C)=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@H]3[C@@]1(C)C2=O

0 references

found in taxon

Cabralea canjerana

1 reference

stated in

Cabralea eichleriana dc. (meliaceae)—I structure and stereochemistry of wood extractives

Khaya madagascariensis

1 reference

stated in

Limonoids from Khaya madagascariensis Jumelle et Perrier

Identifiers

InChI

InChI=1S/C29H36O8/c1-15(30)36-26-18-11-17-19(29(5,24(18)33)21(27(26,2)3)13-22(31)34-6)7-9-28(4)20(17)12-23(32)37-25(28)16-8-10-35-14-16/h8,10,14,18-19,21,25-26H,7,9,11-13H2,1-6H3/t18-,19-,21+,25+,26+,28-,29-/m1/s1

0 references

InChIKey

YOTCKRFNSMJTGD-NXYMPLJPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105351505)

methyl 2-[(1R,2R,5R,6R,13S,14S,16S)-14-acetyloxy-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate

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