(Q105114977)

English

methyl (1S,4aS,5S,7aS)-5-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 5-hydroxy-7-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

550.16864102 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

10-O-p-trans-coumaroylscandoside methyl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

10-O-p-cis-coumaroylscandoside methyl ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₀O₁₃

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canonical SMILES

O=C(OCC1=CC(O)C2C(=COC(OC3OC(CO)C(O)C(O)C3O)C12)C(=O)OC)C=CC4=CC=C(O)C=C4

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(=O)/C=C/c3ccc(O)cc3)=C[C@H](O)[C@H]12

0 references

found in taxon

Daphniphyllum angustifolium

1 reference

stated in

Study on the Chemical Constituents ofDaphniphyllum angustifolium

Daphniphyllum himalayense

1 reference

stated in

Study on the Chemical Constituents ofDaphniphyllum angustifolium

Daphniphyllum himalense

1 reference

stated in

Study on the Chemical Constituents ofDaphniphyllum angustifolium

Identifiers

InChI

InChI=1S/C26H30O13/c1-35-24(34)15-11-37-25(39-26-23(33)22(32)21(31)17(9-27)38-26)19-13(8-16(29)20(15)19)10-36-18(30)7-4-12-2-5-14(28)6-3-12/h2-8,11,16-17,19-23,25-29,31-33H,9-10H2,1H3/b7-4+/t16-,17+,19+,20-,21+,22-,23+,25-,26-/m0/s1

(Q105114977)

methyl (1S,4aS,5S,7aS)-5-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate

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