(Q105281650)

English

[(3aS,4S,5S,9R,11aR)-5,9-dihydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

348.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS,4S,5S,9R,11aR)-5,9-dihydroxy-6-methyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₄O₆

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canonical SMILES

O=C(OC1C(O)C(=CCC(O)C=CC2OC(=O)C(=C)C21)C)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C=C[C@H](O)CC=C(C)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@@H]12

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found in taxon

Eupatorium rotundifolium

1 reference

stated in

Neue sesquiterpenlactone und andere inhaltsstoffe aus vertretern der Eupatorium-gruppe

Identifiers

InChI

InChI=1S/C19H24O6/c1-5-10(2)18(22)25-17-15-12(4)19(23)24-14(15)9-8-13(20)7-6-11(3)16(17)21/h5-6,8-9,13-17,20-21H,4,7H2,1-3H3/t13-,14-,15+,16+,17+/m1/s1

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InChIKey

UYMFHMBJDXOWGB-NRKLIOEPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UYMFHMBJDXOWGB-NRKLIOEPSA-N

(Q105281650)

[(3aS,4S,5S,9R,11aR)-5,9-dihydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

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Identifiers

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