(Q105156995)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₄

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canonical SMILES

O=C(OC1C(=C)C2C3OC(=O)C(C)C3CCC(=C)C2C1)CC(C)C

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isomeric SMILES

C=C1CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](OC(=O)CC(C)C)C[C@@H]12

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found in taxon

Ainsliaea uniflora

1 reference

stated in

Sesquiterpene lactones from Diaspananthus uniflorus (SCH. BIP.) KITAM.

Identifiers

InChI

InChI=1S/C20H28O4/c1-10(2)8-17(21)23-16-9-15-11(3)6-7-14-12(4)20(22)24-19(14)18(15)13(16)5/h10,12,14-16,18-19H,3,5-9H2,1-2,4H3/t12-,14-,15-,16-,18-,19-/m0/s1

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InChIKey

LTLCRFLGNZOSOU-WZNAKSSCSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

LTLCRFLGNZOSOU-WZNAKSSCSA-N

1 reference

(Q105156995)

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

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Identifiers

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