(Q105329050)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

(1S,4aS,7S,7aS)-7-hydroxy-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[d]pyran-4-carboxylic acid methyl ester

1 reference

based on heuristic

inferred from SMILES

mass

404.131861588 dalton

1 reference

1 reference

inferred from InChIKey

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₁₁

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC3(O)CO

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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]1C=C[C@]2(O)CO

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found in taxon

Dioecrescis erythroclada

1 reference

stated in

Chemical constituents of the Thai medicinal plant, Dioecrescis erythroclada (Kurz) Tirveng

Gardenia jasminoides

1 reference

stated in

Studies on the constituents of Gardenia species. III. New iridoid glycosides from the leaves of Gardenia jasminoides cv. fortuneana Hara

Rothmannia globosa

1 reference

stated in

Iridoids in rothmannia globosa

Genipa americana

1 reference

stated in

Iridoid glucosides from the fruit of Genipa americana

Catunaregam spinosa

1 reference

stated in

Iridoid glucosides from Randia spinosa (Rubiaceae)

Identifiers

InChI

InChI=1S/C17H24O11/c1-25-14(23)8-5-26-15(10-7(8)2-3-17(10,24)6-19)28-16-13(22)12(21)11(20)9(4-18)27-16/h2-3,5,7,9-13,15-16,18-22,24H,4,6H2,1H3/t7-,9+,10+,11+,12-,13+,15-,16-,17-/m0/s1

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InChIKey

XJMPAUZQVRGFRE-SCHFUKFYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105329050)

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

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Identifiers

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