(Q82909159)

English

1,3,4,6,7-Penta-O-acetyl-5-[(acetyloxy)methyl]-2,5-anhydro-9,11-O-(1-ethylprop-2-en-1-ylidene)undec-6-ulopyranose

group of stereoisomers with the chemical formula C₂₉H₄₀O₁₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

660.22654982 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₀O₁₇

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based on heuristic

inferred from SMILES

canonical SMILES

C=CC1(CC)OCC2OC(OC(C)=O)(C3(COC(C)=O)OC(COC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C(O)C2O1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C=CC1(CC)OCC2O[C@@](OC(C)=O)([C@@]3(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)[C@H](OC(C)=O)[C@@H](O)C2O1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C29H40O17/c1-9-27(10-2)39-12-21-23(46-27)22(36)25(41-17(6)33)29(45-21,43-19(8)35)28(13-38-15(4)31)26(42-18(7)34)24(40-16(5)32)20(44-28)11-37-14(3)30/h9,20-26,36H,1,10-13H2,2-8H3/t20-,21?,22+,23?,24-,25-,26+,27?,28+,29-/m1/s1

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InChIKey

YTSUBMLLUSVEOF-GFSYTUPGSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID701362014

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(Q82909159)

1,3,4,6,7-Penta-O-acetyl-5-[(acetyloxy)methyl]-2,5-anhydro-9,11-O-(1-ethylprop-2-en-1-ylidene)undec-6-ulopyranose

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Identifiers

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