(Q105101684)

English

[(2S,3S,5R)-4-(acetoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,5-diacetoxy-6-(acetoxymethyl)-4-hydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-4-[(E)-3-phenylprop-2-enoyl]oxy-tetrahydrofuran-2-yl]methyl (E)-3-phenylprop-2-enoate

group of stereoisomers with the chemical formula C₃₈H₄₂O₁₇

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

770.242199884 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₂O₁₇

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canonical SMILES

O=C(OCC1OC(OC2OC(COC(=O)C)C(OC(=O)C)C(O)C2OC(=O)C)C(OC(=O)C=CC=3C=CC=CC3)(COC(=O)C)C1O)C=CC=4C=CC=CC4

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isomeric SMILES

CC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@@H](COC(=O)/C=C/c3ccccc3)[C@H](O)C2(COC(C)=O)OC(=O)/C=C/c2ccccc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1OC(C)=O

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found in taxon

Phyfnnvik eyyfn

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stated in

Niruriside, a new HIV REV/RRE binding inhibitor from Phyllanthus niruri

Identifiers

InChI

InChI=1S/C38H42O17/c1-22(39)47-19-28-33(50-24(3)41)32(45)34(51-25(4)42)36(52-28)54-37-38(21-49-23(2)40,55-31(44)18-16-27-13-9-6-10-14-27)35(46)29(53-37)20-48-30(43)17-15-26-11-7-5-8-12-26/h5-18,28-29,32-37,45-46H,19-21H2,1-4H3/b17-15+,18-16+/t28-,29+,32+,33-,34-,35+,36-,37-,38?/m1/s1

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InChIKey

BWKPDQKMMAXXTQ-CFUVFVSPSA-N

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17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BWKPDQKMMAXXTQ-CFUVFVSPSA-N

1 reference

(Q105101684)

[(2S,3S,5R)-4-(acetoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,5-diacetoxy-6-(acetoxymethyl)-4-hydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-4-[(E)-3-phenylprop-2-enoyl]oxy-tetrahydrofuran-2-yl]methyl (E)-3-phenylprop-2-enoate

Statements

Identifiers

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