(Q105258552)

English

(1S)-1alpha-[(1E,3S)-3-(beta-D-Glucopyranosyloxy)-1-butenyl]-2,2,6alpha-trimethyl-4alpha-(beta-D-glucopyranosyloxy)-7-oxabicyclo[4.1.0]heptane

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(Hydroxymethyl)-6-[[1,5,5-trimethyl-6-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

550.262541404 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₂O₁₃

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canonical SMILES

OCC1OC(OC(C=CC23OC3(C)CC(OC4OC(CO)C(O)C(O)C4O)CC2(C)C)C)C(O)C(O)C1O

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isomeric SMILES

C[C@@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Equisetum ramosissimum

1 reference

stated in

Megastigmane glucosides from Equisetum debile and E. diffusum

Equisetum giganteum

1 reference

stated in

Megastigmane glucosides from Equisetum debile and E. diffusum

Identifiers

InChI

InChI=1S/C25H42O13/c1-11(34-21-19(32)17(30)15(28)13(9-26)36-21)5-6-25-23(2,3)7-12(8-24(25,4)38-25)35-22-20(33)18(31)16(29)14(10-27)37-22/h5-6,11-22,26-33H,7-10H2,1-4H3/b6-5+/t11-,12-,13+,14+,15+,16+,17-,18-,19+,20+,21+,22+,24+,25-/m0/s1

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InChIKey

SQTKMGALJXXATL-BVKRKREASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105258552)

(1S)-1alpha-[(1E,3S)-3-(beta-D-Glucopyranosyloxy)-1-butenyl]-2,2,6alpha-trimethyl-4alpha-(beta-D-glucopyranosyloxy)-7-oxabicyclo[4.1.0]heptane

Statements

Identifiers

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