(Q104982465)

English

[(3aS,4S,5R,6aR,9aR,9bR)-5-hydroxy-9-methyl-3,6-dimethylidene-2,7-dioxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-(acetyloxymethyl)but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5-Hydroxy-9-methyl-3,6-dimethylidene-2,7-dioxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2-(acetyloxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

416.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₄O₈

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CC)COC(=O)C)C(O)C(=C)C3C(=O)C=C(C)C23

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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)[C@@H]1C(=O)C=C(C)[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/C22H24O8/c1-6-13(8-28-12(5)23)22(27)30-20-17-11(4)21(26)29-19(17)15-9(2)7-14(24)16(15)10(3)18(20)25/h6-7,15-20,25H,3-4,8H2,1-2,5H3/b13-6+/t15-,16+,17-,18+,19+,20-/m0/s1

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InChIKey

DJOCELBIMJLMPG-BTIIRNRLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104982465)

[(3aS,4S,5R,6aR,9aR,9bR)-5-hydroxy-9-methyl-3,6-dimethylidene-2,7-dioxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-(acetyloxymethyl)but-2-enoate

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Identifiers

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