(Q104969035)

English

6alpha-[6-O-[(E)-3-(4-Hydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]-4,4a,5,6-tetrahydro-4aalpha-hydroxy-5beta-vinyl-1H,3H-pyrano[3,4-c]pyran-1-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[6-[(4-Ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

520.158076336 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6alpha-[6-O-[(Z)-3-(4-Hydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]-4,4a,5,6-tetrahydro-4aalpha-hydroxy-5beta-vinyl-1H,3H-pyrano[3,4-c]pyran-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₂₈O₁₂

0 references

canonical SMILES

O=C(OCC1OC(OC2OC=C3C(=O)OCCC3(O)C2C=C)C(O)C(O)C1O)C=CC4=CC=C(O)C=C4

0 references

isomeric SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O

0 references

found in taxon

Swertia leducii

1 reference

stated in

Secoiridoid Glycosides fromSwertia mileensis

Identifiers

InChI

InChI=1S/C25H28O12/c1-2-15-23(35-11-16-22(31)33-10-9-25(15,16)32)37-24-21(30)20(29)19(28)17(36-24)12-34-18(27)8-5-13-3-6-14(26)7-4-13/h2-8,11,15,17,19-21,23-24,26,28-30,32H,1,9-10,12H2/b8-5+/t15-,17+,19+,20-,21+,23-,24-,25+/m0/s1

0 references

InChIKey

CRZUKDMWTZQWQG-DOIYPIOUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104969035)

6alpha-[6-O-[(E)-3-(4-Hydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]-4,4a,5,6-tetrahydro-4aalpha-hydroxy-5beta-vinyl-1H,3H-pyrano[3,4-c]pyran-1-one

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