(Q105036532)

English

[(4S,7S,8S,11R)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

0 references

1 reference

414.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4S,7R,8S,11R)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(4S,7S,8S,11S)-2-oxo-8-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

[(4R,7S,8S,11S)-2-oxo-8-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

[(4S,7S,8S,11S)-2-oxo-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate

1 reference

1 reference

C₁₈H₂₂O₁₁

0 references

canonical SMILES

O=C1OC2C=C(COC(=O)C)C3C(OC=C1C23)OC4OC(CO)C(O)C(O)C4O

0 references

isomeric SMILES

CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]32

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found in taxon

Coprosma arborea

1 reference

stated in

Chemistry of the Coprosma genus. Part VIII. The occurrence of asperuloside

Coprosma lucida

1 reference

stated in

Chemistry of the Coprosma genus. Part VIII. The occurrence of asperuloside

Coprosma repens

1 reference

stated in

Chemistry of the Coprosma genus. Part VIII. The occurrence of asperuloside

Coprosma robusta

2 references

stated in

Chemistry of the Coprosma genus. Part IX. The constitution of asperuloside

stated in

Chemistry of the Coprosma genus. Part VIII. The occurrence of asperuloside

Coprosma tenuifolia

1 reference

stated in

Chemistry of the Coprosma genus. Part VIII. The occurrence of asperuloside

Rubia tinctorum

1 reference

stated in

The accumulation and utilization of asperuloside in the Rubiaceae

Identifiers

InChI

InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12+,13+,14-,15+,17-,18-/m0/s1

0 references

InChIKey

IBIPGYWNOBGEMH-ZQVCFQTRSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105036532)

[(4S,7S,8S,11R)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate

Statements

Identifiers

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