(Q105184438)

English

[(1S,4aR,5S,6S,7R,7aS)-5,6,7-trihydroxy-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-7-yl]methyl (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(5,6,7-trihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-7-yl)methyl 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

[(4aR,5S,6S,7S)-5,6,7-trihydroxy-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-7-yl]methyl (E)-3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

510.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₀O₁₂

0 references

canonical SMILES

O=C(OCC1(O)C(O)C(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21)C=CC=4C=CC=CC4

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isomeric SMILES

O=C(/C=C/c1ccccc1)OC[C@@]1(O)[C@@H](O)[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21

0 references

found in taxon

Globularia alypum

3 references

stated in

New Iridoid Glucosides and a Lignan Diglucoside fromGlobularia alypumL

stated in

Iridoid glucosides from the aerial parts of Globularia alypum L. (Globulariaceae).

stated in

Phenylethyl Glycosides fromGlobularia alypumGrowing in Turkey

Identifiers

InChI

InChI=1S/C24H30O12/c25-10-14-18(28)19(29)20(30)23(35-14)36-22-16-13(8-9-33-22)17(27)21(31)24(16,32)11-34-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-32H,10-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24+/m1/s1

0 references

InChIKey

NRCZKVGMFVNDIY-OKFLANASSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NRCZKVGMFVNDIY-OKFLANASSA-N

1 reference

(Q105184438)

[(1S,4aR,5S,6S,7R,7aS)-5,6,7-trihydroxy-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-7-yl]methyl (E)-3-phenylprop-2-enoate

Statements

Identifiers

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