(Q105134783)

English

(1S)-1alpha-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydro-7alpha-(hydroxymethyl)-5-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

404.131861588 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₁₁

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(=O)CC3CO

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

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found in taxon

Penstemon grandiflorus

1 reference

stated in

Iridoid glucosides from Penstemon secundiflorus and P. grandiflorus: Revised structure of 10-hydroxy-8-epihastatoside

Penstemon secundiflorus

2 references

stated in

Iridoid glucosides from Penstemon secundiflorus and P. grandiflorus: Revised structure of 10-hydroxy-8-epihastatoside

stated in

Iridoid glucosides from Penstemon secundiflorus and P. grandiflorus: Revised structure of 10-hydroxy-8-epihastatoside

Identifiers

InChI

InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h5-6,9-14,16-19,21-23H,2-4H2,1H3/t6-,9-,10-,11+,12-,13+,14-,16+,17+/m1/s1

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InChIKey

JTIRVAMILJQVBT-GSVAQQCBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JTIRVAMILJQVBT-GSVAQQCBSA-N

1 reference

(Q105134783)

(1S)-1alpha-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydro-7alpha-(hydroxymethyl)-5-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester

Statements

Identifiers

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