(Q105272400)

English

[(1R,5S,6R,7S,8R,9S)-9-acetyloxy-8-methyl-4-methylidene-8-[(2R)-oxiran-2-yl]-3-oxo-7-(3-oxoprop-1-en-2-yl)-2-oxabicyclo[3.3.1]nonan-6-yl] (2S)-2-hydroxy-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[9-Acetyloxy-8-methyl-4-methylidene-8-(oxiran-2-yl)-3-oxo-7-(3-oxoprop-1-en-2-yl)-2-oxabicyclo[3.3.1]nonan-6-yl] 2-hydroxy-2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

436.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,5R,6S,7R,8R,9R)-9-acetyloxy-8-methyl-4-methylidene-8-[(2S)-oxiran-2-yl]-3-oxo-7-(3-oxoprop-1-en-2-yl)-2-oxabicyclo[3.3.1]nonan-6-yl] (2S)-2-hydroxy-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₉

0 references

canonical SMILES

O=CC(=C)C1C(OC(=O)C(O)(C)CC)C2C(=C)C(=O)OC(C2OC(=O)C)C1(C)C3OC3

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)[C@@H]1[C@H](OC(=O)[C@@](C)(O)CC)[C@H](C(=C)C=O)[C@]2(C)[C@@H]1CO1

0 references

found in taxon

Zinnia grandiflora

1 reference

stated in

Zinagrandinolides A-C, cytotoxic delta-elemanolide-type sesquiterpene lactones from Zinnia grandiflora

Identifiers

InChI

InChI=1S/C22H28O9/c1-7-21(5,27)20(26)30-16-14-11(3)19(25)31-18(17(14)29-12(4)24)22(6,13-9-28-13)15(16)10(2)8-23/h8,13-18,27H,2-3,7,9H2,1,4-6H3/t13-,14-,15-,16-,17-,18-,21-,22-/m0/s1

0 references

InChIKey

UGJQEYPUVSKREF-QZRQRXROSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UGJQEYPUVSKREF-QZRQRXROSA-N

(Q105272400)

[(1R,5S,6R,7S,8R,9S)-9-acetyloxy-8-methyl-4-methylidene-8-[(2R)-oxiran-2-yl]-3-oxo-7-(3-oxoprop-1-en-2-yl)-2-oxabicyclo[3.3.1]nonan-6-yl] (2S)-2-hydroxy-2-methylbutanoate

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Identifiers

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