(Q104966428)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

[(2R,3S,4S,5R,6S)-6-{[(1S,6S,8S,9R)-9-[(benzoyloxy)methyl]-8-hydroxy-6-methyl-4-oxo-7-oxatricyclo[4.3.0.0³,⁹]nonan-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

584.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

C₃₀H₃₂O₁₂

0 references

canonical SMILES

O=C(OCC1OC(OC23CC4C(=O)CC3(OC(O)C42COC(=O)C=5C=CC=CC5)C)C(O)C(O)C1O)C=6C=CC=CC6

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isomeric SMILES

C[C@@]12CC(=O)[C@H]3C[C@]1(O[C@@H]1O[C@H](COC(=O)c4ccccc4)[C@@H](O)[C@H](O)[C@H]1O)[C@@]3(COC(=O)c1ccccc1)[C@H](O)O2

0 references

found in taxon

Paeonia peregrina

2 references

stated in

Two acylated monoterpene glucosides from Paeonia peregina

stated in

A monoterpene glucoside from Paeonia peregrina roots

Identifiers

InChI

InChI=1S/C30H32O12/c1-28-13-19(31)18-12-30(28,29(18,27(37)42-28)15-39-25(36)17-10-6-3-7-11-17)41-26-23(34)22(33)21(32)20(40-26)14-38-24(35)16-8-4-2-5-9-16/h2-11,18,20-23,26-27,32-34,37H,12-15H2,1H3/t18-,20-,21-,22+,23-,26+,27-,28-,29-,30-/m1/s1

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InChIKey

CNXYOSGVWOYOSS-CWPJACNLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104966428)

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

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