(Q105279208)

English

[(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] 2-hydroxy-2-methylpropanoate

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-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

422.157682412 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,5R,6S,7R,8R,9R)-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] 2-hydroxy-2-methylpropanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆O₉

0 references

canonical SMILES

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

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H](OC(C)=O)[C@H]1[C@@H](OC(=O)C(C)(C)O)[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/C21H26O9/c1-9(7-22)14-15(29-19(25)20(4,5)26)13-10(2)18(24)30-17(16(13)28-11(3)23)21(14,6)12-8-27-12/h7,12-17,26H,1-2,8H2,3-6H3/t12-,13-,14-,15-,16-,17-,21+/m1/s1

0 references

InChIKey

UUASDOALLGVGAV-RPCDHGCSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UUASDOALLGVGAV-RPCDHGCSSA-N

(Q105279208)

[(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] 2-hydroxy-2-methylpropanoate

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Identifiers

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