(Q82887537)

English

Sodium 4-[2-(5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethoxy]-4-oxobutanoate

group of stereoisomers with the chemical formula C₂₈H₃₅NaO₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

538.2178769799998 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₅NaO₉

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based on heuristic

inferred from SMILES

canonical SMILES

CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)COC(=O)CCC(=O)[O-])O1.[Na+]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)C4C(O)C[C@]3(C)[C@]2(C(=O)COC(=O)CCC(=O)[O-])O1.[Na+]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C28H36O9.Na/c1-25(2)36-21-12-18-17-6-5-15-11-16(29)9-10-26(15,3)24(17)19(30)13-27(18,4)28(21,37-25)20(31)14-35-23(34)8-7-22(32)33;/h9-11,17-19,21,24,30H,5-8,12-14H2,1-4H3,(H,32,33);/q;+1/p-1/t17?,18?,19?,21-,24?,26+,27+,28-;/m1./s1

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InChIKey

LWYFTFVPWMNUJF-WNIIPDDDSA-M

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26 December 2021

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DSSTOX compound identifier

DTXCID401345300

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(Q82887537)

Sodium 4-[2-(5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethoxy]-4-oxobutanoate

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Identifiers

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