(Q105281651)

English

(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

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

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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-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

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

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Eupatorium rotundifolium

1 reference

Neue sesquiterpenlactone und andere inhaltsstoffe aus vertretern der Eupatorium-gruppe

Identifiers

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/b9-8+,10-5+,11-6+/t13-,14-,15+,16+,17+/m1/s1

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UYMFHMBJDXOWGB-TWESHQPBSA-N

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