(Q105184836)

English

(4S)-1-[(3R,4As,5R,6S)-5-ethenyl-1-oxo-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-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione

chemical compound

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instance of

type of chemical entity

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subclass of

5-Ethenyl-3-[4-hydroxy-8-(4-hydroxyphenyl)-2,6-dioxooctyl]-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl hexopyranoside

1 reference

based on heuristic

inferred from SMILES

1-(5-ethenyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl)-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione

1 reference

based on heuristic

inferred from SMILES

mass

606.231241276 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₁₃

0 references

canonical SMILES

O=C1OC(CC(=O)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)CC(=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/C30H38O13/c1-2-21-22-12-20(11-19(35)10-18(34)9-17(33)8-5-15-3-6-16(32)7-4-15)41-28(39)23(22)14-40-29(21)43-30-27(38)26(37)25(36)24(13-31)42-30/h2-4,6-7,14,18,20-22,24-27,29-32,34,36-38H,1,5,8-13H2/t18-,20-,21+,22-,24+,25+,26-,27+,29-,30-/m0/s1

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InChIKey

NRVMYJKCFMJRML-HTYJTZAGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105184836)

(4S)-1-[(3R,4As,5R,6S)-5-ethenyl-1-oxo-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-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione

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Identifiers

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