(Q105360344)

English

(1S)-1alpha-(beta-D-Glucopyranosyloxy)-5alpha-hydroxy-7-(acetoxymethyl)-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 7-(acetyloxymethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

446.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,4aS,5S,7aS)-7-[(acetyloxy)methyl]-5-hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₆O₁₂

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CC(O)C13)COC(=O)C

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@@H](O)[C@H]12

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found in taxon

Daphniphyllum macropodum

1 reference

stated in

Daphniphyllum alkaloids—III

Paederia scandens

1 reference

stated in

Two new acylated iridoid glucosides from the aerial parts of Paederia scandens.

Paederia foetida

1 reference

stated in

Two new acylated iridoid glucosides from the aerial parts of Paederia scandens.

Identifiers

InChI

InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11-,12-,13+,14-,15+,16-,18+,19+/m1/s1

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InChIKey

YSOBQIMODQOGKQ-XYRJWDFLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YSOBQIMODQOGKQ-XYRJWDFLSA-N

1 reference

(Q105360344)

(1S)-1alpha-(beta-D-Glucopyranosyloxy)-5alpha-hydroxy-7-(acetoxymethyl)-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

Statements

Identifiers

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