(Q105163855)

English

[(2R,3S,4S,5R,6S)-6-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dimethoxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

iridoid

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mass

512.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₁₂

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canonical SMILES

O=C(OCC1OC(OC2OC=CC3C(O)CC(O)(C)C23)C(O)C(O)C1O)C4=CC=C(OC)C(OC)=C4

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isomeric SMILES

COc1ccc(C(=O)OC[C@H]2O[C@@H](O[C@@H]3OC=C[C@@H]4[C@H]3[C@@](C)(O)C[C@H]4O)[C@H](O)[C@@H](O)[C@@H]2O)cc1OC

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found in taxon

Monteverdia laevis

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stated in

Chemical constituents from the Colombian medicinal plant Maytenus laevis

Identifiers

InChI

InChI=1S/C24H32O12/c1-24(30)9-13(25)12-6-7-33-22(17(12)24)36-23-20(28)19(27)18(26)16(35-23)10-34-21(29)11-4-5-14(31-2)15(8-11)32-3/h4-8,12-13,16-20,22-23,25-28,30H,9-10H2,1-3H3/t12-,13+,16+,17+,18+,19-,20+,22-,23-,24-/m0/s1

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InChIKey

MHLBJQVZNLCHBZ-NPWFAMOPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MHLBJQVZNLCHBZ-NPWFAMOPSA-N

1 reference

(Q105163855)

[(2R,3S,4S,5R,6S)-6-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dimethoxybenzoate

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Identifiers

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