(Q105370437)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

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mass

358.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(E)-2-Methyl-2-butenoic acid (3R)-2,7-dioxo-3alpha,9-dimethyl-6-formyl-2,3,3abeta,4,5,7,9abeta,9balpha-octahydroazuleno[4,5-b]furan-4alpha-yl ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₆

0 references

canonical SMILES

O=CC1=C2C(=O)C=C(C)C2C3OC(=O)C(C)C3C(OC(=O)C(=CC)C)C1

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isomeric SMILES

CC=C(C)C(=O)O[C@@H]1CC(C=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/C20H22O6/c1-5-9(2)19(23)25-14-7-12(8-21)17-13(22)6-10(3)15(17)18-16(14)11(4)20(24)26-18/h5-6,8,11,14-16,18H,7H2,1-4H3/t11-,14-,15+,16-,18-/m1/s1

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InChIKey

ZBAWCJFZFWOKAA-AJZPPWIDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZBAWCJFZFWOKAA-AJZPPWIDSA-N

(Q105370437)

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

Statements

Identifiers

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