(Q105235563)

English

[(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] (2R)-3-chloro-2-hydroxy-2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass 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] 3-chloro-2-hydroxy-2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

398.113230756 dalton

1 reference

1 reference

1 reference

C₁₉H₂₃ClO₇

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(O)(C)CCl)CC(=C)C3CC(O)C4(OC4)C23

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isomeric SMILES

C=C1C[C@H](OC(=O)[C@@](C)(O)CCl)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@@]21CO1

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found in taxon

Acroptilon repens

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stated in

Components ofAcroptilon repens

stated in

Guaianolides from Acroptilon repens

Rhaponticum repens

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stated in

Components ofAcroptilon repens

stated in

Guaianolides from Acroptilon repens

Identifiers

InChI

InChI=1S/C19H23ClO7/c1-8-4-11(26-17(23)18(3,24)6-20)13-9(2)16(22)27-15(13)14-10(8)5-12(21)19(14)7-25-19/h10-15,21,24H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15-,18-,19-/m0/s1

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InChIKey

RFRUYYQMUJRBAN-FWZIYDMOSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105235563)

[(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] (2R)-3-chloro-2-hydroxy-2-methylpropanoate

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