(Q105032520)

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] (2S)-2-methyloxirane-2-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

(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-methyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

(3aR,4S,6aR,8S,9S,9aS,9bS)-8-hydroxy-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 2-methyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

362.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,6aS,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] (2S)-2-methyloxirane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,4S,6aR,8S,9R,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] (2S)-2-methyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₁₉H₂₂O₇

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C3(OC3)C)CC(=C)C4CC(O)C5(OC5)C24

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isomeric SMILES

C=C1C[C@H](OC(=O)[C@]2(C)CO2)[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

Jurinea carduiformis

1 reference

stated in

Guaianolide from Jurinea carduiformis

Identifiers

InChI

InChI=1S/C19H22O7/c1-8-4-11(25-17(22)18(3)6-23-18)13-9(2)16(21)26-15(13)14-10(8)5-12(20)19(14)7-24-19/h10-15,20H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15-,18-,19-/m0/s1

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InChIKey

HQZJODBJOBTCPI-FWZIYDMOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105032520)

[(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] (2S)-2-methyloxirane-2-carboxylate

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Identifiers

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