(Q105344789)

English

(4S,4aS,5S,8aR,9aS)-9a-hydroxy-3,4a-dimethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-5-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

9a-hydroxy-3,4a-dimethyl-4-(2-methylbut-2-enoyloxy)-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₇

0 references

canonical SMILES

O=C(OC1C2=C(C(=O)OC2(O)CC3CCCC(C(=O)O)C13C)C)C(=CC)C

0 references

isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC[C@H](C(=O)O)[C@@]12C

0 references

Ligularia intermedia

1 reference

Eremophilane sesquiterpene lactones from Ligularia intermedia Nakai of Shanxi

Ligularia przewalskii

1 reference

Coniferyl and sinapyl alcohol derivatives from Ligularia duciformis

Scandosorbus intermedia

1 reference

Eremophilane sesquiterpene lactones from Ligularia intermedia Nakai of Shanxi

Identifiers

InChI=1S/C20H26O7/c1-5-10(2)17(23)26-15-14-11(3)18(24)27-20(14,25)9-12-7-6-8-13(16(21)22)19(12,15)4/h5,12-13,15,25H,6-9H2,1-4H3,(H,21,22)/b10-5-/t12-,13-,15-,19+,20+/m1/s1

0 references

XZBCMOCFJJECSB-TZPNYEDISA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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