(Q105152319)

English

[(1R,2S,4R,6R,9S,10S,11S)-1,6-dimethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-7-oxo-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[1,6-Dimethyl-10-(2-methylbut-2-enoyloxy)-7-oxo-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

446.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,4R,6R,9S,10S,11R)-1,6-dimethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-7-oxo-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-2-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₄O₇

0 references

canonical SMILES

O=C(OC1C2OC2(C)C(OC(=O)C(=CC)C)CC3OC3(C(=O)CC1C(=C)C)C)C(=CC)C

0 references

isomeric SMILES

C=C(C)[C@@H]1CC(=O)[C@]2(C)O[C@@H]2C[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)O[C@H]2[C@H]1OC(=O)/C(C)=C\C

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found in taxon

Ligularia

1 reference

stated in

Natürlich vorkommende Terpen-Derivate, 98. Über Inhaltsstoffe der GattungLigularia

Identifiers

InChI

InChI=1S/C25H34O7/c1-9-14(5)22(27)29-18-12-19-24(7,31-19)17(26)11-16(13(3)4)20(21-25(18,8)32-21)30-23(28)15(6)10-2/h9-10,16,18-21H,3,11-12H2,1-2,4-8H3/b14-9-,15-10-/t16-,18-,19+,20-,21-,24-,25+/m0/s1

0 references

InChIKey

LIOYAVZGLXKOHL-SUXPPECKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LIOYAVZGLXKOHL-SUXPPECKSA-N

(Q105152319)

[(1R,2S,4R,6R,9S,10S,11S)-1,6-dimethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-7-oxo-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-2-yl] (Z)-2-methylbut-2-enoate

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