(Q104970543)

English

8-O-Angeloyl-9-O-acetylanthemolide B

chemical compound

In more languages

Statements

type of chemical entity

0 references

(5-Acetyloxy-9-hydroperoxy-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

436.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

8-O-Tigloyl-9-O-acetylanthemolide B

1 reference

based on heuristic

inferred from InChI

[(3aR,4R,5R,6S,6aS,9S,9aS,9bR)-5-acetyloxy-9-hydroperoxy-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₉

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C(O)(C)C2C=CC(OO)(C)C2C3OC(=O)C(=C)C13)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1C=C[C@@](C)(OO)[C@H]21

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Anthemis cretica

1 reference

Highly oxygenated guaianolides from Anthemis cretica subsp. cretica

Identifiers

InChI=1S/C22H28O9/c1-7-10(2)19(24)30-17-14-11(3)20(25)29-16(14)15-13(8-9-21(15,5)31-27)22(6,26)18(17)28-12(4)23/h7-9,13-18,26-27H,3H2,1-2,4-6H3/b10-7-/t13-,14+,15+,16+,17-,18-,21-,22+/m1/s1

0 references

CUWOCEBPPUEJCN-WILIPAAYSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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