(Q105173035)

English

[(3aR,4R,5Z,7S,11S,11aS)-7-ethoxy-6-formyl-11-hydroxy-3,10-dimethylidene-2-oxo-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(7-ethoxy-6-formyl-11-hydroxy-3,10-dimethylidene-2-oxo-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

390.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆O₇

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canonical SMILES

O=CC1=CC(OC(=O)C(=C)C)C2C(=C)C(=O)OC2C(O)C(=C)CCC1OCC

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isomeric SMILES

C=C(C)C(=O)O[C@@H]1/C=C(\C=O)[C@@H](OCC)CCC(=C)[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/C21H26O7/c1-6-26-15-8-7-12(4)18(23)19-17(13(5)21(25)28-19)16(9-14(15)10-22)27-20(24)11(2)3/h9-10,15-19,23H,2,4-8H2,1,3H3/b14-9+/t15-,16+,17+,18-,19-/m0/s1

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InChIKey

MVHWAMDNVFDMJV-GGGXDIGGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105173035)

[(3aR,4R,5Z,7S,11S,11aS)-7-ethoxy-6-formyl-11-hydroxy-3,10-dimethylidene-2-oxo-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

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Identifiers

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