(Q104390403)

English

[6-[[(1S,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

group of stereoisomers with the chemical formula C₃₀H₃₂O₁₂

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instance of

group of stereoisomers

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584.189376464 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₂O₁₂

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canonical SMILES

O=C(OCC1OC(OC23CC4C5(O)OC(OC2(C)C5)C43COC(=O)C=6C=CC=CC6)C(O)C(O)C1O)C=7C=CC=CC7

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isomeric SMILES

C[C@@]12C[C@@]3(O)O[C@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21OC1OC(COC(=O)c2ccccc2)C(O)C(O)C1O

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7 references

"Studies on active substances in herbs used for Oketsu (\"stagnant blood\") in Chinese medicine. VI On the anticoagulative principle in Paeoniae Radix."

stated in

Antioxidative constituents from Paeonia lactiflora

stated in

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

stated in

Phytochemical and Pharmacological Studies on ChinesePaeoniaSpecies

stated in

New bioactive monoterpene glycosides from Paeoniae Radix

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A new monoterpene glycoside of Paeonia lactiflora

Delavay's tree peony

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stated in

Monoterpene glycosides from Paeonia delavayi

Paeonia clusii

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stated in

Paeonicluside, a new salicylic glycoside from the Greek endemic species Paeonia clusii.

Paeonia obovata

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stated in

New monoterpene glycoside esters and phenolic constituents of Paeoniae radix, and increase of water solubility of proanthocyanidins in the presence of paeoniflorin

Identifiers

InChI

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

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InChIKey

LATYEZNGPQKAIK-KTWUNTGUSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

LATYEZNGPQKAIK-KTWUNTGUSA-N

1 reference

(Q104390403)

[6-[[(1S,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

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