(Q105374799)

English

[(3aR,4R,6E,9R,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-methyl-4-oxobut-2-enoyl]oxymethyl]but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(9-Acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-hydroxy-2-[(2-methyl-4-oxobut-2-enoyl)oxymethyl]but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

516.199547224 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6E,9R,10Z,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-methyl-4-oxobut-2-enoyl]oxymethyl]but-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₂O₁₀

0 references

canonical SMILES

O=CC=C(C(=O)OCC(=CCO)C(=O)OC1CC(=CCC(OC(=O)C)C(=CC2OC(=O)C(=C)C21)C)C)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](OC(C)=O)C/C=C(\C)C[C@@H](OC(=O)/C(=C/CO)COC(=O)/C(C)=C/C=O)[C@@H]12

0 references

found in taxon

Ageratina areolaris

2 references

stated in

Sesquiterpene lactones and other constituents from Piptothrix areolare

stated in

Sequiterpenes from Ageratina tomentella

Identifiers

InChI

InChI=1S/C27H32O10/c1-15-6-7-21(35-19(5)30)17(3)13-23-24(18(4)26(32)36-23)22(12-15)37-27(33)20(9-11-29)14-34-25(31)16(2)8-10-28/h6,8-10,13,21-24,29H,4,7,11-12,14H2,1-3,5H3/b15-6+,16-8+,17-13-,20-9+/t21-,22-,23-,24-/m1/s1

0 references

InChIKey

ZFVGTXODOWBDDT-CWEGMISBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZFVGTXODOWBDDT-CWEGMISBSA-N

(Q105374799)

[(3aR,4R,6E,9R,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-methyl-4-oxobut-2-enoyl]oxymethyl]but-2-enoate

Statements

Identifiers

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