(Q105202836)

English

(3aR,3abeta,6abeta,9R,9abeta,9bbeta)-3a,4,5,6,6a,7,9a,9b-Octahydro-4beta-(methacryloyloxy)-8alpha-hydroxy-3,6-dimethylenespiro[azuleno[4,5-b]furan-9(8H),2'-oxiran]-2(3H)-one

chemical compound

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instance of

type of chemical entity

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1 reference

(8-Hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl) 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

346.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,6aR,8S,9S,9aS,9bS)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₂O₆

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canonical SMILES

O=C(OC1CC(=C)C2CC(O)C3(OC3)C2C4OC(=O)C(=C)C14)C(=C)C

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isomeric SMILES

C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]12

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found in taxon

Pleiotaxis rugosa

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stated in

Chemotaxonomy of the genus pleiotaxis*

Ptilostemon diacantha

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stated in

Neue guajanolide und acetylenverbindungen aus Ptilostemon-arten

Identifiers

InChI

InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16+,19+/m0/s1

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InChIKey

OXOPCSJXUOZWDB-LSYIGHHSSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105202836)

(3aR,3abeta,6abeta,9R,9abeta,9bbeta)-3a,4,5,6,6a,7,9a,9b-Octahydro-4beta-(methacryloyloxy)-8alpha-hydroxy-3,6-dimethylenespiro[azuleno[4,5-b]furan-9(8H),2'-oxiran]-2(3H)-one

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