(Q105142355)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

Shanzhiside methyl ester

1 reference

based on heuristic

inferred from SMILES

Shanzhiside methylester

1 reference

based on heuristic

inferred from SMILES

mass

406.147511652 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

Shanzhiside methyl ester

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₆O₁₁

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)CC3(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]2[C@H]1[C@H](O)C[C@@]2(C)O

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found in taxon

Cordylanthus kingii

1 reference

stated in

C-8 Epimeric iridoid glycosides of Cordylanthus (scrophulariaceae) species

Identifiers

InChI

InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9-,10+,11-,12+,13-,15+,16+,17-/m1/s1

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InChIKey

KKSYAZCUYVRKML-WVYOZNRDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KKSYAZCUYVRKML-WVYOZNRDSA-N

1 reference

(Q105142355)

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

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