(Q105008401)

English

[(3aR,4R,5R,6S,6aR,9aR,9bR)-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

322.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4R,5R,6S,6aS,9aR,9bR)-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate

1 reference

based on heuristic

inferred from InChI

9alpha-Hydroxycumambrin A

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₆

0 references

canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C)C(O)C(O)(C)C3CC=C(C)C23

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isomeric SMILES

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

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found in taxon

Anthemis carpatica

1 reference

stated in

Sesquiterpene lactones as chemotaxonomic markers in genus Anthemis

Anthemis plutonia

1 reference

stated in

Sesquiterpene lactones as chemotaxonomic markers in genus Anthemis

Identifiers

InChI

InChI=1S/C17H22O6/c1-7-5-6-10-11(7)13-12(8(2)16(20)23-13)14(22-9(3)18)15(19)17(10,4)21/h5,10-15,19,21H,2,6H2,1,3-4H3/t10-,11+,12-,13-,14-,15-,17+/m1/s1

0 references

InChIKey

GHABOTPTVJEHOU-USYRYXCBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GHABOTPTVJEHOU-USYRYXCBSA-N

(Q105008401)

[(3aR,4R,5R,6S,6aR,9aR,9bR)-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate

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Identifiers

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