(Q105249757)

English

3,4-Dimethoxybenzoic acid (1S)-1alpha-(beta-D-glucopyranosyloxy)-7alpha-hydroxy-7-methyl-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-5alpha-yl ester

chemical compound

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instance of

type of chemical entity

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subclass of

[7-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 3,4-dimethoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

512.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,4aS,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 3,4-dimethoxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₂O₁₂

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canonical SMILES

O=C(OC1CC(O)(C)C2C(OC=CC12)OC3OC(CO)C(O)C(O)C3O)C4=CC=C(OC)C(OC)=C4

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isomeric SMILES

COc1ccc(C(=O)O[C@@H]2C[C@](C)(O)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@H]32)cc1OC

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found in taxon

Monteverdia laevis

1 reference

stated in

Chemical constituents from the Colombian medicinal plant Maytenus laevis

Handroanthus impetiginosum

2 references

stated in

Nitric oxide (NO) production inhibitory constituents of Tabebuia avellanedae from Brazil

stated in

Iridoids from Tabebuia avellanedae

Handroanthus impetiginosus

2 references

stated in

Nitric oxide (NO) production inhibitory constituents of Tabebuia avellanedae from Brazil

stated in

Iridoids from Tabebuia avellanedae

Identifiers

InChI

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

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InChIKey

SBWYWSYCORCAIO-FTUCCGIQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SBWYWSYCORCAIO-FTUCCGIQSA-N

1 reference

(Q105249757)

3,4-Dimethoxybenzoic acid (1S)-1alpha-(beta-D-glucopyranosyloxy)-7alpha-hydroxy-7-methyl-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-5alpha-yl ester

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