(Q82305098)

English

RESIBUFAGIN

group of stereoisomers with the chemical formula C₂₄H₃₀O₅

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Statements

group of stereoisomers

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chemical compound

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398.2093240599999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₅

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based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC3C(CCC4CC(O)CCC43C=O)C13OC3CC2c1ccc(=O)oc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C=O)[C@]13O[C@@H]3CC2c1ccc(=O)oc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C24H30O5/c1-22-8-7-17-18(4-3-15-10-16(26)6-9-23(15,17)13-25)24(22)20(29-24)11-19(22)14-2-5-21(27)28-12-14/h2,5,12-13,15-20,26H,3-4,6-11H2,1H3/t15-,16+,17+,18-,19?,20-,22-,23-,24-/m1/s1

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LFLJTMIVTFTLOA-UIZOPSFESA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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