(Q104388088)

English

[(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[4-Hydroxy-6-methyl-8-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

480.163161716 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3S,4R,6R,9R)-4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₈O₁₁

0 references

canonical SMILES

O=C(OCC12C(=O)OC3(C)CC(O)C2CC31OC4OC(CO)C(O)C(O)C4O)C=5C=CC=CC5

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isomeric SMILES

C[C@]12C[C@@H](O)[C@@H]3C[C@@]1(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@]3(COC(=O)c1ccccc1)C(=O)O2

0 references

found in taxon

Paeonia veitchii

1 reference

stated in

A comparative study on commercial samples of the roots of Paeonia vitchii and P. lactiflora

Delavay's tree peony

1 reference

stated in

Monoterpene glycosides from Paeonia delavayi

Chinese peony

4 references

stated in

A comparative study on commercial samples of the roots of Paeonia vitchii and P. lactiflora

stated in

Q57216691

stated in

New bioactive monoterpene glycosides from Paeoniae Radix

stated in

Capillary electrophoretic determination of the constituents of paeoniae radix

Identifiers

InChI

InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14-,15-,16+,17-,19+,21-,22-,23-/m0/s1

0 references

InChIKey

QQUHMASGPODSIW-DRASSFSVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QQUHMASGPODSIW-DRASSFSVSA-N

1 reference

(Q104388088)

[(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate

Statements

Identifiers

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