(Q105168086)

English

[(1R,2R,5R,6R,10S,13S,14S,16S)-6-(furan-3-yl)-16-[(1R)-1-hydroxy-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] (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-(1-hydroxy-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-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

568.26723286 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,5R,6R,10S,13S,14R,16S)-6-(furan-3-yl)-16-[(1R)-1-hydroxy-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] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₀O₉

0 references

canonical SMILES

O=C(OC1C2C=C3C4CC(=O)OC(C5=COC=C5)C4(C)CCC3C(C2=O)(C)C(C(O)C(=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=C3[C@@H]4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@H]3[C@@](C)(C2=O)[C@@H]([C@@H](O)C(=O)OC)C1(C)C

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found in taxon

Swietenia macrophylla

1 reference

stated in

Limonoid extractives from Swietenia macrophylla

Identifiers

InChI

InChI=1S/C32H40O9/c1-8-16(2)28(36)41-27-19-13-18-20(32(6,25(19)35)24(30(27,3)4)23(34)29(37)38-7)9-11-31(5)21(18)14-22(33)40-26(31)17-10-12-39-15-17/h8,10,12-13,15,19-21,23-24,26-27,34H,9,11,14H2,1-7H3/b16-8+/t19-,20-,21+,23-,24+,26+,27+,31-,32-/m1/s1

0 references

InChIKey

MMUSWMCGLGFCKL-CTPZHDGKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MMUSWMCGLGFCKL-CTPZHDGKSA-N

(Q105168086)

[(1R,2R,5R,6R,10S,13S,14S,16S)-6-(furan-3-yl)-16-[(1R)-1-hydroxy-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] (E)-2-methylbut-2-enoate

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