(Q105182257)

English

[(3aR,4R,5aS,6S,8R,8aS,9R,9aS)-4,8,9-trihydroxy-8a-methyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(4,8,9-trihydroxy-8a-methyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

366.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₆O₇

0 references

canonical SMILES

O=C(OC1CC(O)C2(C)C(O)C3C(=C)C(=O)OC3C(O)CC12)C(=CC)C

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isomeric SMILES

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

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found in taxon

Gaillardia pulchella

1 reference

stated in

Structure-Activity Relationships of Pseudoguaianolides Isolated from Gaillardia pulchella and Their Derivatives

Identifiers

InChI

InChI=1S/C19H26O7/c1-5-8(2)17(23)25-12-7-13(21)19(4)10(12)6-11(20)15-14(16(19)22)9(3)18(24)26-15/h5,10-16,20-22H,3,6-7H2,1-2,4H3/b8-5-/t10-,11-,12+,13-,14-,15+,16-,19+/m1/s1

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InChIKey

NNQHFYLCSCNRKO-KSQKCIAFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105182257)

[(3aR,4R,5aS,6S,8R,8aS,9R,9aS)-4,8,9-trihydroxy-8a-methyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] (Z)-2-methylbut-2-enoate

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