(Q82230624)

English

Dehydroeupatundin

group of stereoisomers with the chemical formula C₂₀H₂₂O₇

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

374.1365530439999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂O₇

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based on heuristic

inferred from SMILES

canonical SMILES

C=C1C(=O)OC2C1C(OC(=O)C(C)=CC)CC(=C)C1C(=O)C3OC3(C)C12O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C=C1C(=O)O[C@H]2C1[C@H](OC(=O)/C(C)=C\C)CC(=C)[C@@H]1C(=O)[C@H]3O[C@@]3(C)[C@@]12O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C20H22O7/c1-6-8(2)17(22)25-11-7-9(3)13-14(21)16-19(5,27-16)20(13,24)15-12(11)10(4)18(23)26-15/h6,11-13,15-16,24H,3-4,7H2,1-2,5H3/b8-6-/t11-,12?,13-,15+,16-,19-,20-/m1/s1

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InChIKey

SZDMNOCXPXOIPV-JQGBFCPXSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID20370414

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NSC number

352279

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(Q82230624)

Dehydroeupatundin

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Identifiers

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