(Q105214042)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 1-(hexopyranosyloxy)-4a-hydroxy-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

404.131861588 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

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)C3C(C)CC(=O)C13O

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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](C)CC(=O)[C@]12O

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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

1 reference

stated in

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

Verbena hastata

1 reference

stated in

Hastatosid, ein neues Iridoid aus Verbena hastata L. und Verbena officinalis L. [1] / Hastatoside, a New Iridoid from Verbena hastata L. and Verbena officinalis L. [1]

Cornus officinalis

1 reference

stated in

Elution-extrusion counter-current chromatography separation of six pairs of isomeric iridoids from Cornus officinalis Sieb. et Zucc. guided by ion current extraction in mass spectrometry.

Identifiers

InChI

InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13-,15+,16+,17+/m0/s1

0 references

InChIKey

PRZVXHGUJJPSME-DGQPLNRKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105214042)

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

Statements

Identifiers

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