(Q105292729)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

450.108145376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4S,5R,9aR,9bS)-8-chloro-5-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-(acetyloxymethyl)but-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₃ClO₈

0 references

canonical SMILES

O=C1OC2C3C(C(=O)C(Cl)=C3C)=C(C)C(O)C(OC(=O)C(=CC)COC(=O)C)C2C1=C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/C)COC(C)=O)[C@H](O)C(C)=C1C(=O)C(Cl)=C(C)[C@@H]12

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found in taxon

Lasiolaena morii

1 reference

stated in

Guaianolides and homoditerpenes from Lasiolaena morii

Lasiolaena santosii

1 reference

stated in

New germacranolides, guaianolides and rearranged Guaianolides from Lasiolaena santosii

Identifiers

InChI

InChI=1S/C22H23ClO8/c1-6-12(7-29-11(5)24)22(28)31-20-15-10(4)21(27)30-19(15)14-8(2)16(23)18(26)13(14)9(3)17(20)25/h6,14-15,17,19-20,25H,4,7H2,1-3,5H3/b12-6+/t14-,15-,17+,19+,20-/m0/s1

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InChIKey

VTHACUIBICUQIO-NYFXGQSFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105292729)

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

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