(Q105191530)

English

[(3aR,4R,5Z,10R,11R,11aS)-6-formyl-11-hydroxy-3-methylidene-2-oxospiro[4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-10,2'-oxirane]-4-yl] 2-methylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6-formyl-11-hydroxy-3-methylidene-2-oxospiro[4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-10,2'-oxirane]-4-yl) 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

362.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R,5E,10R,11R)-2,3,3abeta,4,7,8,9,10,11,11aalpha-Decahydro-2-oxo-3-methylene-11-hydroxy-4-(methacryloyloxy)spiro[cyclodeca[b]furan-10,2'-oxirane]-6-carbaldehyde

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₂O₇

0 references

canonical SMILES

O=CC1=CC(OC(=O)C(=C)C)C2C(=C)C(=O)OC2C(O)C3(OC3)CCC1

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isomeric SMILES

C=C(C)C(=O)O[C@@H]1/C=C(\C=O)CCC[C@@]2(CO2)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21

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found in taxon

Milleria quinqueflora

1 reference

stated in

Millerenolides, sesquiterpene lactones from Milleria quinqueflora

Identifiers

InChI

InChI=1S/C19H22O7/c1-10(2)17(22)25-13-7-12(8-20)5-4-6-19(9-24-19)16(21)15-14(13)11(3)18(23)26-15/h7-8,13-16,21H,1,3-6,9H2,2H3/b12-7-/t13-,14-,15+,16-,19-/m1/s1

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InChIKey

OGCMEEKAZKEDQP-UPZPYLOFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105191530)

[(3aR,4R,5Z,10R,11R,11aS)-6-formyl-11-hydroxy-3-methylidene-2-oxospiro[4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-10,2'-oxirane]-4-yl] 2-methylprop-2-enoate

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