(Q105217186)

English

[(3aS,6S,6aS,9R,9aS,9bR)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-4,5,6,6a,7,8,9,9b-octahydro-3aH-azuleno[8,7-b]furan-9-yl] acetate

chemical compound

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Statements

type of chemical entity

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[6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-4,5,6,6a,7,8,9,9b-octahydro-3aH-azuleno[8,7-b]furan-9-yl] acetate

1 reference

based on heuristic

inferred from SMILES

308.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₅

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canonical SMILES

O=C1OC2C(C1=C)CCC(CO)C3CCC(OC(=O)C)C23C

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isomeric SMILES

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

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Parthenium hysterophorus

1 reference

Chemotaxonomy of Parthenium: P. Hysterophorus—P. Glomeratum

Identifiers

InChI=1S/C17H24O5/c1-9-12-5-4-11(8-18)13-6-7-14(21-10(2)19)17(13,3)15(12)22-16(9)20/h11-15,18H,1,4-8H2,2-3H3/t11-,12+,13+,14-,15-,17+/m1/s1

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PZYPCUKIIHXLCC-CTMWFGIQSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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