(Q105276561)

English

[(3aS,8S,9aR,9bS)-6-(acetyloxymethyl)-3,9-dimethylidene-2-oxo-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-8-yl] (2R)-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-[(acetyloxy)methyl]-3,9-dimethylidene-2-oxo-3aH,4H,5H,7H,8H,9aH,9bH-azuleno[4,5-b]furan-8-yl 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

388.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₆

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canonical SMILES

O=C1OC2C3C(=C)C(OC(=O)C(C)CC)CC3=C(COC(=O)C)CCC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1CCC(COC(C)=O)=C1C[C@H](OC(=O)[C@H](C)CC)C(=C)[C@@H]12

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found in taxon

Rhodanthe moschata

1 reference

stated in

Sesquiterpene lactones and other constituents from Australian Helipterum species

Identifiers

InChI

InChI=1S/C22H28O6/c1-6-11(2)21(24)27-18-9-17-15(10-26-14(5)23)7-8-16-12(3)22(25)28-20(16)19(17)13(18)4/h11,16,18-20H,3-4,6-10H2,1-2,5H3/t11-,16+,18+,19+,20+/m1/s1

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InChIKey

UOSPANIJYZDROZ-GBJJQACRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UOSPANIJYZDROZ-GBJJQACRSA-N

(Q105276561)

[(3aS,8S,9aR,9bS)-6-(acetyloxymethyl)-3,9-dimethylidene-2-oxo-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-8-yl] (2R)-2-methylbutanoate

Statements

Identifiers

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