(Q105368992)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

(6S,7R,9bR)-5,7-bis(acetyloxy)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl (2E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

(3aR,5R,6S,6aS,7S,9aS,9bR)-5,7-bis(acetyloxy)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl (2Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

5,7-bis(acetyloxy)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl (2E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

5,7-bis(acetyloxy)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

462.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₀O₉

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C(O)(C)C2C(OC(=O)C)C=C(C)C2C3OC(=O)C(=C)C13)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]3C(C)=C[C@H](OC(C)=O)[C@H]3[C@](C)(O)[C@H](OC(C)=O)[C@H](OC(=O)/C(C)=C\C)[C@H]12

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found in taxon

Anthemis hydruntina

1 reference

stated in

Sesquiterpene lactones as chemotaxonomic markers in genus Anthemis

Identifiers

InChI

InChI=1S/C24H30O9/c1-8-10(2)22(27)33-20-17-12(4)23(28)32-19(17)16-11(3)9-15(30-13(5)25)18(16)24(7,29)21(20)31-14(6)26/h8-9,15-21,29H,4H2,1-3,5-7H3/b10-8-/t15-,16+,17+,18+,19+,20+,21+,24-/m0/s1

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InChIKey

YYXVRKOJSILGAG-MMCRDZTHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105368992)

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

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Identifiers

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