(Q105186224)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

{8-hydroxy-3,9-dimethylidene-2-oxo-3aH,4H,5H,7H,8H,9aH,9bH-azuleno[4,5-b]furan-6-yl}methyl 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₅

0 references

canonical SMILES

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

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1CCC(COC(=O)[C@H](C)CC)=C1C[C@H](O)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/C20H26O5/c1-5-10(2)19(22)24-9-13-6-7-14-11(3)20(23)25-18(14)17-12(4)16(21)8-15(13)17/h10,14,16-18,21H,3-9H2,1-2H3/t10-,14+,16+,17+,18+/m1/s1

0 references

InChIKey

NVGARXGCRUNCLV-RBZPAKRASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NVGARXGCRUNCLV-RBZPAKRASA-N

(Q105186224)

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

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Identifiers

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