(Q105372619)

English

[(1R,2S,4S,5S,6S,7S)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-en-5-yl]methyl 4-methoxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-Hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-en-5-yl]methyl 4-methoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

496.158076336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈O₁₂

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canonical SMILES

O=C(OCC1(O)C2OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C31)C5=CC=C(OC)C=C5

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isomeric SMILES

COc1ccc(C(=O)OC[C@]2(O)[C@H]3O[C@H]3[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]32)cc1

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found in taxon

Handroanthus impetiginosum

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stated in

Further constituents from the bark of Tabebuia impetiginosa

Handroanthus impetiginosus

1 reference

stated in

Further constituents from the bark of Tabebuia impetiginosa

Identifiers

InChI

InChI=1S/C23H28O12/c1-30-11-4-2-10(3-5-11)20(28)32-9-23(29)14-12(18-19(23)34-18)6-7-31-21(14)35-22-17(27)16(26)15(25)13(8-24)33-22/h2-7,12-19,21-22,24-27,29H,8-9H2,1H3/t12-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1

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InChIKey

ZDQYDJKTKMJWEL-QVKWQPFHSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105372619)

[(1R,2S,4S,5S,6S,7S)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-en-5-yl]methyl 4-methoxybenzoate

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