(Q105148103)

English

[(1S,2R,4S,5R,9R,10R,14S,15S,17S)-9-(furan-3-yl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadec-12-en-17-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[9-(Furan-3-yl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadec-12-en-17-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

582.246497416 dalton

1 reference

1 reference

C₃₂H₃₈O₁₀

0 references

canonical SMILES

O=C(OC1C2(O)C(=O)C(C3=CCC4(C)C(OC(=O)CC4C53OC25)C6=COC=C6)(C)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]1C(C)(C)[C@H](CC(=O)OC)[C@]2(C)C(=O)[C@@]1(O)[C@H]1O[C@@]13C2=CC[C@@]1(C)[C@H](c2ccoc2)OC(=O)C[C@@H]31

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found in taxon

Turraea

1 reference

stated in

Mexicanolide limonoids from the Madagascan Meliaceae Quivisia papinae.

Identifiers

InChI

InChI=1S/C32H38O10/c1-8-16(2)24(35)41-26-28(3,4)19(13-21(33)38-7)30(6)18-9-11-29(5)20(32(18)27(42-32)31(26,37)25(30)36)14-22(34)40-23(29)17-10-12-39-15-17/h8-10,12,15,19-20,23,26-27,37H,11,13-14H2,1-7H3/b16-8-/t19-,20+,23-,26-,27+,29+,30+,31-,32+/m0/s1

0 references

InChIKey

KZECPRHFICCVSV-AQUWJDMFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KZECPRHFICCVSV-AQUWJDMFSA-N

(Q105148103)

[(1S,2R,4S,5R,9R,10R,14S,15S,17S)-9-(furan-3-yl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadec-12-en-17-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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