(Q82893444)

English

Sodium 4-oxo-4-[(3,6,9-trimethyldecahydro-12H-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10-yl)oxy]butanoate

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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406.160362104 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₇NaO₈

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1CCC2C(C)C(OC(=O)CCC(=O)[O-])OC3OC4(C)CCC1C32OO4.[Na+]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H]1[C@@H](OC(=O)CCC(=O)[O-])O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.[Na+]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H28O8.Na/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19;/h10-13,16-17H,4-9H2,1-3H3,(H,20,21);/q;+1/p-1/t10-,11-,12+,13+,16+,17-,18?,19-;/m1./s1

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ZISJLHQNEVGTIU-AZISKZOLSA-M

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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

DTXCID801349659

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