(Q105386075)

English

[(3aR,4R,5R,6S,6aR,9aR,9bR)-5-acetyloxy-6-hydroxy-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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Statements

instance of

type of chemical entity

0 references

subclass of

(5-acetyloxy-6-hydroxy-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

364.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS)-2,3,3a,4,5,6,6abeta,7,9abeta,9balpha-Decahydro-4beta,5beta-diacetoxy-6beta-hydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₄O₇

0 references

canonical SMILES

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

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1CC=C(C)[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/C19H24O7/c1-8-6-7-12-13(8)15-14(9(2)18(22)26-15)16(24-10(3)20)17(19(12,5)23)25-11(4)21/h6,12-17,23H,2,7H2,1,3-5H3/t12-,13+,14-,15-,16-,17-,19+/m1/s1

0 references

InChIKey

ZYEPXKNEJAIFAP-ODXKATOQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZYEPXKNEJAIFAP-ODXKATOQSA-N

(Q105386075)

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

Statements

Identifiers

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