(Q105031449)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

germacrane sesquiterpenoid

0 references

mass

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6E,10Z,11aR)-10-(acetyloxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

O=C(OC1CC(=CCCC(=CC2OC(=O)C(=C)C21)COC(=O)C)C)C(=CCO)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C)C[C@@H](OC(=O)C(C)=CCO)[C@@H]12

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found in taxon

Eupatorium hyssopifolium

1 reference

stated in

Neue sesquiterpenlactone und andere inhaltsstoffe aus vertretern der Eupatorium-gruppe

Identifiers

InChI

InChI=1S/C22H28O7/c1-13-6-5-7-17(12-27-16(4)24)11-19-20(15(3)22(26)29-19)18(10-13)28-21(25)14(2)8-9-23/h6,8,11,18-20,23H,3,5,7,9-10,12H2,1-2,4H3/t18-,19-,20-/m1/s1

0 references

InChIKey

HOOYJFJWGGBAPG-VAMGGRTRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HOOYJFJWGGBAPG-VAMGGRTRSA-N

(Q105031449)

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

Statements

Identifiers

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