(Q82877425)

English

Salvigenolide

group of stereoisomers with the chemical formula C₂₂H₂₂O₇

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Statements

group of stereoisomers

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chemical compound

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398.136553044 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₂₂O₇

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canonical SMILES

O=C1OCC23C1=CCCC3C(=C4C(OC(=O)C4CC2OC(=O)C)C5=COC=C5)C

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isomeric SMILES

CC(=O)O[C@@H]1C[C@H]2C(=O)O[C@@H](c3ccoc3)C2=C(C)[C@H]2CCC=C3C(=O)OCC312

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1 reference

The Diterpenoid Constituents of Salvia fulgens and Salvia microphylla

Identifiers

InChI=1S/C22H22O7/c1-11-15-4-3-5-16-21(25)27-10-22(15,16)17(28-12(2)23)8-14-18(11)19(29-20(14)24)13-6-7-26-9-13/h5-7,9,14-15,17,19H,3-4,8,10H2,1-2H3/t14-,15-,17-,19+,22?/m1/s1

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AAESZUTUGQRGAR-MRNNJRGVSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID701337142

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