(Q105341157)

English

[(3aR,4R,5aS,6S,8R,8aR,9R,9aS)-4,9-dihydroxy-8a-methyl-8-[(Z)-2-methylbut-2-enoyl]oxy-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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Statements

instance of

type of chemical entity

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subclass of

[4,9-dihydroxy-8a-methyl-8-(2-methylbut-2-enoyloxy)-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

448.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₈

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canonical SMILES

O=C(OC1CC(OC(=O)C(=CC)C)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]1OC(=O)/C(C)=C\C

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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/C24H32O8/c1-7-11(3)21(27)30-16-10-17(31-22(28)12(4)8-2)24(6)14(16)9-15(25)19-18(20(24)26)13(5)23(29)32-19/h7-8,14-20,25-26H,5,9-10H2,1-4,6H3/b11-7-,12-8-/t14-,15-,16+,17-,18-,19+,20-,24+/m1/s1

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InChIKey

XSPHEMSVWATZSO-KSXZLQSFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105341157)

[(3aR,4R,5aS,6S,8R,8aR,9R,9aS)-4,9-dihydroxy-8a-methyl-8-[(Z)-2-methylbut-2-enoyl]oxy-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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Identifiers

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