(Q105121565)

English

[(1R,2S,4R,5R,9R,10R,11R,12S,14R,15R,18R)-14-acetyloxy-5-(furan-3-yl)-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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Statements

instance of

type of chemical entity

0 references

subclass of

[14-Acetyloxy-5-(furan-3-yl)-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

596.298532988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₄O₉

0 references

canonical SMILES

O=C(OC1CC(OC(=O)C)C2(C)COC3C4OC5C(=C(C)CC5C6=COC=C6)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](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@H]5C(=C(C)C[C@@H]5c5ccoc5)[C@@]4(C)[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/C34H44O9/c1-9-17(2)31(37)42-24-14-23(41-19(4)35)32(5)16-40-28-29(32)33(24,6)22(13-25(36)38-8)34(7)26-18(3)12-21(20-10-11-39-15-20)27(26)43-30(28)34/h9-11,15,21-24,27-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23-,24+,27-,28-,29+,30-,32-,33+,34-/m1/s1

0 references

InChIKey

IWERWMCSIQZTFD-GNIJKUFRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IWERWMCSIQZTFD-GNIJKUFRSA-N

(Q105121565)

[(1R,2S,4R,5R,9R,10R,11R,12S,14R,15R,18R)-14-acetyloxy-5-(furan-3-yl)-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

Statements

Identifiers

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