(Q105328687)

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] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-(acetyloxymethyl)-3,9-dimethylidene-2-oxo-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-8-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

386.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₆

0 references

canonical SMILES

O=C1OC2C3C(=C)C(OC(=O)C(=CC)C)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(C)=C\C)C(=C)[C@@H]12

0 references

found in taxon

Rhodanthe moschata

1 reference

stated in

Sesquiterpene lactones and other constituents from Australian Helipterum species

Identifiers

InChI

InChI=1S/C22H26O6/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/h6,16,18-20H,3-4,7-10H2,1-2,5H3/b11-6-/t16-,18-,19-,20-/m0/s1

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InChIKey

XIQWDHNAEDDDOI-IGXIHRKYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XIQWDHNAEDDDOI-IGXIHRKYSA-N

(Q105328687)

[(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] (Z)-2-methylbut-2-enoate

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Identifiers

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