(Q104920202)

English

[(1S,4aR,6S,7R,7aR)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[4-formyl-4a-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

480.163161716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈O₁₁

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canonical SMILES

O=CC1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(C)C(OC(=O)C=4C=CC=CC4)CC13O

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isomeric SMILES

C[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12

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found in taxon

Incarvillea olgae

1 reference

stated in

Iridoid glycosides of plants of the genusIncarvillea I. 7-0-benzoyltecomoside fromIncarvillea olgae

Identifiers

InChI

InChI=1S/C23H28O11/c1-11-14(32-20(29)12-5-3-2-4-6-12)7-23(30)13(8-24)10-31-21(16(11)23)34-22-19(28)18(27)17(26)15(9-25)33-22/h2-6,8,10-11,14-19,21-22,25-28,30H,7,9H2,1H3/t11-,14-,15+,16-,17+,18-,19+,21-,22-,23-/m0/s1

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InChIKey

AWQBAJVTZVKMIB-HZYBKHTFSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104920202)

[(1S,4aR,6S,7R,7aR)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] benzoate

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Identifiers

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