(Q105252120)

English

[(1R,2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-(3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl)-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

548.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₀O₁₀

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canonical SMILES

O=C(OC1C(O)CC2C(C)(C3OC4OC=CC4C3)C(C)CC(OC(=O)C)C2(COC(=O)C)C51OC5)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1[C@H](O)C[C@@H]2[C@@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2

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found in taxon

Scutellaria galericulata

2 references

stated in

Neo-clerodane insect antifeedants from Scutellaria galericulata

stated in

Neo-clerodane insect antifeedants from Scutellaria galericulata

Identifiers

InChI

InChI=1S/C29H40O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h7-9,16,19-24,26,32H,10-14H2,1-6H3/b15-7+/t16-,19-,20-,21-,22+,23+,24+,26+,27+,28+,29-/m1/s1

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InChIKey

SFXGUONTLJEXHK-VTGUIJTQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SFXGUONTLJEXHK-VTGUIJTQSA-N

1 reference

(Q105252120)

[(1R,2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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