(Q105268388)

English

(3R,3aR,4R,9aS,9bR)-3,9-dimethyl-4-[(E)-2-methylbut-2-enoyl]oxy-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-6-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

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mass

374.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,3aR,4R,9aS,9bR)-3,9-dimethyl-4-(2-methylbut-2-enoyloxy)-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-6-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₇

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canonical SMILES

O=C(O)C1=C2C(=O)C=C(C)C2C3OC(=O)C(C)C3C(OC(=O)C(=CC)C)C1

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1CC(C(=O)O)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]12

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found in taxon

Eupatorium perfoliatum

1 reference

stated in

An unusual dimeric guaianolide with antiprotozoal activity and further sesquiterpene lactones from Eupatoriumperfoliatum

Identifiers

InChI

InChI=1S/C20H22O7/c1-5-8(2)19(24)26-13-7-11(18(22)23)16-12(21)6-9(3)14(16)17-15(13)10(4)20(25)27-17/h5-6,10,13-15,17H,7H2,1-4H3,(H,22,23)/b8-5+/t10-,13-,14+,15-,17-/m1/s1

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InChIKey

TZTNBBJNIUDTRA-CWXVXMPOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TZTNBBJNIUDTRA-CWXVXMPOSA-N

1 reference

(Q105268388)

(3R,3aR,4R,9aS,9bR)-3,9-dimethyl-4-[(E)-2-methylbut-2-enoyl]oxy-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-6-carboxylic acid

Statements

Identifiers

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