Products 51596-12-4

CAS 51596-12-4 is the registry number for 5-O-Methylmilbemycin A3. Offered by: Chemat Brand. Available pack sizes: on request.

5-O-Methylmilbemycin A3
Chemat Brand
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  • Variants: 1
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(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-24-hydroxy-21-methoxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one (CAS 51596-12-4) is a chemical compound with the molecular formula C32H46O7 and a molecular weight of 542.7 g/mol. IUPAC name: (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-24-hydroxy-21-methoxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one. InChIKey: JAPXVXGBNCCGCS-RFEBHRRASA-N.

Identity
Molecular formulaC32H46O7
Molecular weight542.7 g/mol
IUPAC name(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-24-hydroxy-21-methoxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
InChIKeyJAPXVXGBNCCGCS-RFEBHRRASA-N
SMILESC[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5OC)C)C(=O)O3)O)C)\C)O[C@@H]1C

Computed by PubChem (NCBI)

Synonyms: Milbemycin alpha2, Milbemycin B, 28-deoxy-6,28-epoxy-25-methyl-, (6R,25R)-, (6R,25R)-28-Deoxy-6,28-epoxy-25-methylmilbemycin B, MILBEMYCIN OXIME IMPURITY D [EP IMPURITY]
Isomers (same molecular formula)
(2E,10E,12E,16Z,18E)-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15,17-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid C32H46O7
(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one C32H46O7