(Q105179723)

English

[(3aS,5R,6S,6aS,9S,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-5-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(6,9-Dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-5-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

322.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

1 reference

C₁₇H₂₂O₆

0 references

canonical SMILES

O=C1OC2C(C1=C)CC(OC(=O)C)C(O)(C)C3C=CC(O)(C)C23

0 references

isomeric SMILES

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

0 references

found in taxon

Anthemis carpatica

1 reference

stated in

Sesquiterpene lactones as chemotaxonomic markers in genus Anthemis

Identifiers

InChI

InChI=1S/C17H22O6/c1-8-10-7-12(22-9(2)18)17(4,21)11-5-6-16(3,20)13(11)14(10)23-15(8)19/h5-6,10-14,20-21H,1,7H2,2-4H3/t10-,11-,12+,13-,14-,16-,17-/m0/s1

0 references

InChIKey

NIBHTNDTDSUJGV-VIQAUYLTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NIBHTNDTDSUJGV-VIQAUYLTSA-N

(Q105179723)

[(3aS,5R,6S,6aS,9S,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-5-yl] acetate

Statements

Identifiers

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