(Q105219592)

English

[(3aS,5R,5aS,6S,8S,8aR,9S,9aR)-8-acetyloxy-9-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate

chemical compound

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instance of

type of chemical entity

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1 reference

[(3aS,5S,5aS,8aR,9S,9aS)-8-acetyloxy-9-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate

1 reference

1 reference

366.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,5R,5aS,6S,8R,8aR,9R,9aS)-8-acetyloxy-9-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,5S,5aS,6S,8S,8aR,9S,9aS)-8-acetyloxy-9-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,5R,5aS,6S,8R,8aR,9S,9aR)-8-acetyloxy-9-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate

1 reference

based on heuristic

inferred from InChI

(3aS,7aalpha,9aalpha)-Decahydro-4abeta,8alpha-dimethyl-3-methylene-4alpha,5alpha,7alpha-trihydroxyazuleno[6,5-b]furan-2(3H)-one 5,7-diacetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₆O₇

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canonical SMILES

O=C1OC2CC(C)C3C(OC(=O)C)CC(OC(=O)C)C3(C)C(O)C2C1=C

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isomeric SMILES

C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](O)[C@@H]12

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found in taxon

Inula britannica

1 reference

stated in

Seven sesquiterpene lactones from Inula britannica var. chinensis

Identifiers

InChI

InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(22)19(5)14(25-11(4)21)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13+,14+,15+,16-,17+,19-/m1/s1

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InChIKey

QFJNAUKGMNMIGV-KBZSHNSNSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105219592)

[(3aS,5R,5aS,6S,8S,8aR,9S,9aR)-8-acetyloxy-9-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate

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