(Q105036527)

English

[(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

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

414.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(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

2 references

based on heuristic

inferred from InChIKey

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(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

1 reference

1 reference

[(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

chemical formula

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

0 references

found in taxon

Galium album

1 reference

stated in

Secogalioside, an Iridoid Glucoside from Galium album Mill. and 13C NMR Spectra of Some Seco-iridoid Glucosides.

Galium mollugo

1 reference

stated in

Secogalioside, an Iridoid Glucoside from Galium album Mill. and 13C NMR Spectra of Some Seco-iridoid Glucosides.

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-OKEASSFKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IBIPGYWNOBGEMH-OKEASSFKSA-N

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