(Q105232072)

English

[(3aS,4R,5R,6S,6aS,7R,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] 2-methylpropanoate

chemical compound

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instance of

type of chemical entity

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1 reference

(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) 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

450.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS)-2,3,3abeta,4,5,6,6abeta,7,9abeta,9balpha-Decahydro-2-oxo-3-methylene-6,9-dimethylazuleno[4,5-b]furan-4beta,5beta,6beta,7alpha-tetrol 4-(2-methylpropanoate)5,7-diacetate

1 reference

based on heuristic

inferred from InChI

[(3aR,4R,5R,6S,6aS,7S,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] 2-methylpropanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₀O₉

0 references

canonical SMILES

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

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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@@H]12

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found in taxon

Anthemis cretica

1 reference

stated in

Highly oxygenated guaianolides from Anthemis cretica subsp. cretica

Anthemis montana

1 reference

stated in

Highly oxygenated guaianolides from Anthemis cretica subsp. cretica

Anthemis orientalis

1 reference

stated in

Highly oxygenated guaianolides from Anthemis cretica subsp. cretica

Cota nigellifolia

1 reference

stated in

Highly oxygenated guaianolides from Anthemis cretica subsp. cretica

Anthemis sterilis

1 reference

stated in

Highly oxygenated guaianolides from Anthemis cretica subsp. cretica

Identifiers

InChI

InChI=1S/C23H30O9/c1-9(2)21(26)32-19-16-11(4)22(27)31-18(16)15-10(3)8-14(29-12(5)24)17(15)23(7,28)20(19)30-13(6)25/h8-9,14-20,28H,4H2,1-3,5-7H3/t14-,15-,16+,17-,18-,19-,20-,23+/m1/s1

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InChIKey

QZIJBOZJUDGVFT-MEHCSJBBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QZIJBOZJUDGVFT-MEHCSJBBSA-N

(Q105232072)

[(3aS,4R,5R,6S,6aS,7R,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] 2-methylpropanoate

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