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Product Overview

Product Code

TRC-O856855

CAS Number

1415035-94-7

Product Format

Neat

Molecular Formula

C31 H46 O7

Molecular Weight

530.6927

API Family

Fusidic Acid

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

26-Oxofusidic Acid

CAS Number

1415035-94-7

Molecular Formula

C31 H46 O7

Molecular Weight

530.6927

Accurate Mass

530.3244

SMILES

C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4\C(=C(/CCC=C(C)C=O)\C(=O)O)\[C@H](C[C@]34C)OC(=O)C

InChI

InChI=1S/C31H46O7/c1-17(16-32)8-7-9-20(28(36)37)26-22-14-24(35)27-29(4)12-11-23(34)18(2)21(29)10-13-30(27,5)31(22,6)15-25(26)38-19(3)33/h8,16,18,21-25,27,34-35H,7,9-15H2,1-6H3,(H,36,37)/b17-8?,26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1

IUPAC

(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-7-oxohept-5-enoic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Fusidic Acid

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Chemical Data

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27-Oxo-fusidic Acid

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