(Q105381416)

English

[(3aR,4R,6aR,7R,9aS,9bS)-7-acetyloxy-9a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(7-Acetyloxy-9a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

402.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₇

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canonical SMILES

O=C(OC1CC(=C)C2C(OC(=O)C)C=C(C)C2(O)C3OC(=O)C(=C)C13)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)CC(=C)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@]21O

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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/C22H26O7/c1-7-10(2)20(24)28-15-8-11(3)18-16(27-14(6)23)9-12(4)22(18,26)19-17(15)13(5)21(25)29-19/h7,9,15-19,26H,3,5,8H2,1-2,4,6H3/b10-7+/t15-,16-,17-,18-,19+,22-/m1/s1

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InChIKey

ZQEQINFAARBNOK-PPTIYKJTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZQEQINFAARBNOK-PPTIYKJTSA-N

(Q105381416)

[(3aR,4R,6aR,7R,9aS,9bS)-7-acetyloxy-9a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

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Identifiers

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