(Q104993158)

English

[(1S,2R,3S,5S,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[(1S,2S,3R,5S,6R,8S)-6-hydroxy-8-methyl-3-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate

1 reference

1 reference

1 reference

[(1S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

496.158076336 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,3S,5S,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate

2 references

based on heuristic

inferred from InChIKey

1 reference

[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₈O₁₂

0 references

canonical SMILES

O=C(OCC12C3OC4(O)CC(O3)(C)C2(OC5OC(CO)C(O)C(O)C5O)CC41)C6=CC=C(O)C=C6

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isomeric SMILES

C[C@]12C[C@]3(O)O[C@H](O1)[C@@]1(COC(=O)c4ccc(O)cc4)[C@@H]3C[C@@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Paeonia emodi

1 reference

stated in

Lipoxygenase inhibiting and antioxidant oligostilbene and monoterpene galactoside from Paeonia emodi.

Identifiers

InChI

InChI=1S/C23H28O12/c1-20-8-22(30)13-6-23(20,33-18-16(28)15(27)14(26)12(7-24)32-18)21(13,19(34-20)35-22)9-31-17(29)10-2-4-11(25)5-3-10/h2-5,12-16,18-19,24-28,30H,6-9H2,1H3/t12-,13+,14-,15+,16-,18+,19+,20-,21-,22+,23-/m1/s1

0 references

InChIKey

FCHVXNVDFYXLIL-JJRXUYKBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FCHVXNVDFYXLIL-JJRXUYKBSA-N

(Q104993158)

[(1S,2R,3S,5S,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate

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Identifiers

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