(Q110192481)

English

(4-Hydroxy-3,9-dimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-6-yl)methyl 3-methylbutanoate

group of stereoisomers with the chemical formula C₂₀H₂₆O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₆

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canonical SMILES

O=C1C=C(C)C2C1=C(COC(=O)CC(C)C)CC(O)C3C2OC(=O)C3C

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found in taxon

Scorzonera austriaca

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stated in

Sesquiterpene lactones from Scorzonera austriaca

Scorzonera humilis

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stated in

Sesquiterpene lactones from Scorzonera austriaca

Identifiers

InChI

InChI=1S/C20H26O6/c1-9(2)5-15(23)25-8-12-7-14(22)17-11(4)20(24)26-19(17)16-10(3)6-13(21)18(12)16/h6,9,11,14,16-17,19,22H,5,7-8H2,1-4H3

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InChIKey

FGRWXWJJWSDNFR-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FGRWXWJJWSDNFR-UHFFFAOYSA-N

(Q110192481)

(4-Hydroxy-3,9-dimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-6-yl)methyl 3-methylbutanoate

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Identifiers

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