(Q105245586)

English

(3R,4As,5R,6S)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one

chemical compound

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type of chemical entity

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1 reference

5-ethenyl-3-[4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-1-one

1 reference

based on heuristic

inferred from SMILES

mass

564.220676592 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₁₂

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canonical SMILES

O=C1OC(CC(=O)CC(O)CCC2=CC=C(O)C=C2)CC3C1=COC(OC4OC(CO)C(O)C(O)C4O)C3C=C

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isomeric SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@@H](CC(=O)C[C@@H](O)CCc3ccc(O)cc3)C[C@H]21

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found in taxon

Hydrangea macrophylla

6 references

stated in

Absolute Stereostructures of Hydramacrosides A and B, New Bioactive Secoiridoid Glucoside Complexes from the Leaves of Hydrangea macrophylla SERINGE var. thunbergii MAKINO

stated in

Chemical constituents from the leaves of Hydrangea macrophylla var. thunbergii (III): Absolute stereostructures of hydramacrosides A and B, secoiridoid glucoside complexes with inhibitory activity on histamine release

stated in

Absolute Stereostructures of 3S-Phyllodulcin, 3R- and 3S-Phyllodulcin Glycosides, and 3R- and 3S-Thunberginol H Glycosides from the Leaves of Hydrangea macrophylla SERINGE var. thunbergii MAKINO

stated in

Chemical constituents from the leaves of Hydrangea macrophylla var. thunbergii (III): Absolute stereostructures of hydramacrosides A and B, secoiridoid glucoside complexes with inhibitory activity on histamine release

stated in

Absolute Stereostructures of 3S-Phyllodulcin, 3R- and 3S-Phyllodulcin Glycosides, and 3R- and 3S-Thunberginol H Glycosides from the Leaves of Hydrangea macrophylla SERINGE var. thunbergii MAKINO

stated in

Absolute Stereostructures of Hydramacrosides A and B, New Bioactive Secoiridoid Glucoside Complexes from the Leaves of Hydrangea macrophylla SERINGE var. thunbergii MAKINO

Identifiers

InChI

InChI=1S/C28H36O12/c1-2-19-20-11-18(10-17(32)9-16(31)8-5-14-3-6-15(30)7-4-14)38-26(36)21(20)13-37-27(19)40-28-25(35)24(34)23(33)22(12-29)39-28/h2-4,6-7,13,16,18-20,22-25,27-31,33-35H,1,5,8-12H2/t16-,18-,19+,20-,22+,23+,24-,25+,27-,28-/m0/s1

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InChIKey

RUFLRJSDVWBAIK-RHJXTMKGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RUFLRJSDVWBAIK-RHJXTMKGSA-N

1 reference

(Q105245586)

(3R,4As,5R,6S)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one

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