(Q105322317)

English

[(3aS,4S,5S,6E,10E,11aR)-6-formyl-5-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[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

(6-Formyl-5-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

346.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂O₆

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canonical SMILES

O=CC1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C(=C)C)C1O)C

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isomeric SMILES

C=C(C)C(=O)O[C@@H]1[C@@H](O)/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12

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found in taxon

Milleria quinqueflora

1 reference

stated in

Millerenolides, sesquiterpene lactones from Milleria quinqueflora

Identifiers

InChI

InChI=1S/C19H22O6/c1-10(2)18(22)25-17-15-12(4)19(23)24-14(15)8-11(3)6-5-7-13(9-20)16(17)21/h7-9,14-17,21H,1,4-6H2,2-3H3/b11-8+,13-7-/t14-,15+,16+,17+/m1/s1

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InChIKey

WYJKUKUVUUALQO-XJZCXBHUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WYJKUKUVUUALQO-XJZCXBHUSA-N

1 reference

(Q105322317)

[(3aS,4S,5S,6E,10E,11aR)-6-formyl-5-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

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