(Q105281828)

English

[(3aS,4S,5R,9aR,9bR)-8-chloro-5-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[8-chloro-5-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

408.097580692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₁ClO₇

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canonical SMILES

O=C(OC1C(O)C(=C2C(=O)C(Cl)=C(CO)C2C3OC(=O)C(=C)C13)C)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)[C@H](O)C(C)=C1C(=O)C(Cl)=C(CO)[C@@H]12

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found in taxon

Lasiolaena morii

1 reference

stated in

Guaianolides and homoditerpenes from Lasiolaena morii

Identifiers

InChI

InChI=1S/C20H21ClO7/c1-5-7(2)19(25)28-18-12-9(4)20(26)27-17(12)13-10(6-22)14(21)16(24)11(13)8(3)15(18)23/h5,12-13,15,17-18,22-23H,4,6H2,1-3H3/b7-5+/t12-,13-,15+,17-,18-/m0/s1

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InChIKey

UYQGWIPKURAUPZ-ACVCRENQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105281828)

[(3aS,4S,5R,9aR,9bR)-8-chloro-5-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

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Identifiers

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