(Q105264092)

English

[(1R,4R,5R,7S,8R,9R,10R,11S,12S)-5-acetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-11-(2-methylpropanoyloxy)-2-oxatricyclo[6.3.1.04,12]dodecan-7-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[5-Acetyloxy-10-[5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-11-(2-methylpropanoyloxy)-2-oxatricyclo[6.3.1.04,12]dodecan-7-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

726.361527168 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4R,5R,7S,8R,9R,10R,11S,12S)-5-acetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-11-(2-methylpropanoyloxy)-2-oxatricyclo[6.3.1.04,12]dodecan-7-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2aR,8abeta,8balpha)-Decahydro-3alpha-acetoxy,5alpha-(tigloyloxy)-7alpha-[(3R,5S)-5-acetoxy-3-(3-furyl)-2-methyl-1-cyclopenten-1-yl]-8alpha-(isobutyryloxy)-2abeta,5abeta,7-trimethyl-2H-naphtho[1,8-bc]furan-6beta-acetic acid methyl ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₄O₁₂

0 references

canonical SMILES

O=C(OC1CC(OC(=O)C)C2(C)COC3C(OC(=O)C(C)C)C(C4=C(C)C(C5=COC=C5)CC4OC(=O)C)(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](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)C(C)C)[C@@](C)(C4=C(C)[C@H](c5ccoc5)C[C@@H]4OC(C)=O)[C@H](CC(=O)OC)[C@]1(C)[C@H]32

0 references

found in taxon

Melia azedarach

1 reference

stated in

Nimbolidins C-E, limonoid antifeedants from Melia toosendan

Identifiers

InChI

InChI=1S/C40H54O12/c1-12-21(4)37(45)51-30-17-29(50-24(7)42)38(8)19-48-33-34(38)39(30,9)28(16-31(43)46-11)40(10,35(33)52-36(44)20(2)3)32-22(5)26(25-13-14-47-18-25)15-27(32)49-23(6)41/h12-14,18,20,26-30,33-35H,15-17,19H2,1-11H3/b21-12+/t26-,27+,28-,29-,30+,33-,34-,35-,38-,39+,40-/m1/s1

0 references

InChIKey

SZFHJFQBAFXSCJ-CJTLRBPZSA-N

0 references

2 references

15 September 2022

matched by identifier from

InChIKey

SZFHJFQBAFXSCJ-CJTLRBPZSA-N

(Q105264092)

[(1R,4R,5R,7S,8R,9R,10R,11S,12S)-5-acetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-11-(2-methylpropanoyloxy)-2-oxatricyclo[6.3.1.04,12]dodecan-7-yl] (E)-2-methylbut-2-enoate

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Identifiers

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