(Q105236037)

English

[(3aR,4R,6aR,7R,9aR,9bR)-7-acetyloxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-4-hydroxy-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

7-(acetyloxy)-9-methyl-3,6-dimethylidene-2-oxo-3aH,4H,5H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 4-hydroxy-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

402.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6aR,7R,9aR,9bR)-7-acetyloxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(3aR,4R,6aR,7S,9aR,9bR)-7-acetyloxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₆O₇

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canonical SMILES

O=C(OC1CC(=C)C2C(OC(=O)C)C=C(C)C2C3OC(=O)C(=C)C13)C(=CCO)C

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isomeric SMILES

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

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found in taxon

Eupatorium chinense

1 reference

stated in

NEW SESQUITERPENE LACTONES FROMEUPATORIUM CHINENSEVAR.SIMPLICIFOLIUM(MAKINO) KITAM.

Identifiers

InChI

InChI=1S/C22H26O7/c1-10(6-7-23)21(25)28-16-8-11(2)17-15(27-14(5)24)9-12(3)18(17)20-19(16)13(4)22(26)29-20/h6,9,15-20,23H,2,4,7-8H2,1,3,5H3/b10-6-/t15-,16-,17-,18+,19-,20-/m1/s1

0 references

InChIKey

RGSSIOXOYJIMTR-BVGFUMOESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RGSSIOXOYJIMTR-BVGFUMOESA-N

(Q105236037)

[(3aR,4R,6aR,7R,9aR,9bR)-7-acetyloxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-4-hydroxy-2-methylbut-2-enoate

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