(Q105165527)

English

[(1R,2S,4R,6R,9R,10R,11R,12S,14S,15R,18R)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[6-(Furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] 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,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₂O₈

0 references

canonical SMILES

O=C(OC1CC(O)C2(C)COC3C4OC5C(=C(C)C(C6=COC=C6)C5)C4(C)C(CC(=O)OC)C1(C)C32)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1C[C@H](O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32

0 references

found in taxon

Azadirachta indica

1 reference

stated in

Several Antifeedants from Neem Oil,Azadirachta indicaA. Juss., againstReticulitermes speratusKolbe (Isoptera: Rhinotermitidae)

Identifiers

InChI

InChI=1S/C32H42O8/c1-8-16(2)29(35)40-23-13-22(33)30(4)15-38-26-27(30)31(23,5)21(12-24(34)36-7)32(6)25-17(3)19(18-9-10-37-14-18)11-20(25)39-28(26)32/h8-10,14,19-23,26-28,33H,11-13,15H2,1-7H3/b16-8+/t19-,20-,21-,22+,23+,26-,27+,28-,30-,31+,32-/m1/s1

0 references

InChIKey

MJNRBOGIPLCVIM-ABIHMULKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MJNRBOGIPLCVIM-ABIHMULKSA-N

(Q105165527)

[(1R,2S,4R,6R,9R,10R,11R,12S,14S,15R,18R)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate

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