(Q105131840)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-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

478.114497272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Paederosidic acid methyl ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₆O₁₂S

0 references

canonical SMILES

O=C(OCC1=CC(O)C2C(=COC(OC3OC(CO)C(O)C(O)C3O)C12)C(=O)OC)SC

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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(=O)SC)=C[C@H](O)[C@@H]12

0 references

found in taxon

Paederia scandens

3 references

stated in

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

stated in

Iridoid glucosides from roots of Vietnamese Paederia scandens

stated in

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

Paederia foetida

2 references

stated in

Iridoid glucosides from roots of Vietnamese Paederia scandens

stated in

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

Identifiers

InChI

InChI=1S/C19H26O12S/c1-27-16(25)8-6-28-17(31-18-15(24)14(23)13(22)10(4-20)30-18)11-7(3-9(21)12(8)11)5-29-19(26)32-2/h3,6,9-15,17-18,20-24H,4-5H2,1-2H3/t9-,10-,11+,12+,13+,14+,15+,17-,18-/m0/s1

0 references

InChIKey

JNDNZIPLLDTLQK-KSXVZMDZSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

JNDNZIPLLDTLQK-KSXVZMDZSA-N

1 reference

(Q105131840)

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

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