(Q105250565)

English

[(1R,3R,6S,9S)-8-methoxy-6-methyl-4-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-tricyclo[4.3.0.03,9]nonanyl]methyl benzoate

group of stereoisomers with the chemical formula C₂₅H₃₂O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

492.199547224 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₁₀

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canonical SMILES

O=C(OCC12C(OC)CC3(C)CC(=O)C2CC31OC4OC(CO)C(O)C(O)C4O)C=5C=CC=CC5

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isomeric SMILES

COC1C[C@@]2(C)CC(=O)[C@@H]3C[C@]2(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]13COC(=O)c1ccccc1

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found in taxon

Paeonia × suffruticosa

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stated in

Anticomplement monoterpenoid glucosides from the root bark of Paeonia suffruticosa.

Chinese peony

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stated in

Monoterpenes from Paeonia albiflora and their inhibitory activity on nitric oxide production by lipopolysaccharide-activated microglia

Paeonia peregrina

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stated in

A monoterpene glucoside from Paeonia peregrina roots

Identifiers

InChI

InChI=1S/C25H32O10/c1-23-9-15(27)14-8-25(23,35-22-20(30)19(29)18(28)16(11-26)34-22)24(14,17(10-23)32-2)12-33-21(31)13-6-4-3-5-7-13/h3-7,14,16-20,22,26,28-30H,8-12H2,1-2H3/t14-,16+,17?,18+,19-,20+,22-,23+,24+,25+/m0/s1

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InChIKey

SDCMIWDDPOQVAS-BWDMLNMCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SDCMIWDDPOQVAS-BWDMLNMCSA-N

1 reference

(Q105250565)

[(1R,3R,6S,9S)-8-methoxy-6-methyl-4-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-tricyclo[4.3.0.03,9]nonanyl]methyl benzoate

Statements

Identifiers

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