(2aS,3S,4R,6aS,6bS,7R,8aR,11aS,12aS,12bS)-4,7-Dihydroxy-3,6a,12a,12b-tetramethyl-9-(4-methylpent-3-en-1-yl)-2a,3,4,5,6,6a,6b,7,8,8a,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10(2H)-one, 95%, 95%

cas: 4701-54-6 — see every product listed under this CAS number, including other names

(2aS,3S,4R,6aS,6bS,7R,8aR,11aS,12aS,12bS)-4,7-Dihydroxy-3,6a,12a,12b-tetramethyl-9-(4-methylpent-3-en-1-yl)-2a,3,4,5,6,6a,6b,7,8,8a,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10(2H)-one, 95%, 95% (CAS 4701-54-6) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 50mg, 100mg. Offered by: Chemat.

• 2D
• 3D

(1S,2S,4S,9R,11R,12S,13S,16R,17S)-11,16-dihydroxy-1,2,13,17-tetramethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-7-en-6-one (CAS 4701-54-6) is a chemical compound with the molecular formula C29H44O4 and a molecular weight of 456.7 g/mol. IUPAC name: (1S,2S,4S,9R,11R,12S,13S,16R,17S)-11,16-dihydroxy-1,2,13,17-tetramethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-7-en-6-one. InChIKey: WESBIDUQKXCXGS-XEVGSQSQSA-N.

Identity

Molecular formula	C29H44O4
Molecular weight	456.7 g/mol
IUPAC name	(1S,2S,4S,9R,11R,12S,13S,16R,17S)-11,16-dihydroxy-1,2,13,17-tetramethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-7-en-6-one
InChIKey	WESBIDUQKXCXGS-XEVGSQSQSA-N
SMILES	C[C@@H]1[C@@H](CC[C@]2(C1CC[C@]3([C@H]2[C@@H](C[C@@H]4[C@@]3(C[C@H]5C4=C(C(=O)O5)CCC=C(C)C)C)O)C)C)O

Computed by PubChem (NCBI)

Synonyms: 16-Dafal, 16-O-Deacetylfusidic acid lactone, 16-O-Desacetylfusidic acid lactone, 16-Deacetylfusidic Acid gamma-Lactone, Fusidic Acid EP Impurity K;<br>Sodium Fusidate EP Impurity K

Related forms of this compound

(1S,2S,4R,9R,11R,12S,13S,16R,17S,18S)-11,16-dihydroxy-1,2,13,17-tetramethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-7-en-6-one C₂₉H₄₄O₄

Isomers (same molecular formula)

[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] acetate C₂₉H₄₄O₄

(3'R,4S,5R,5'S,10S,13S,14S,17S)-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propanoylspiro[2,5,6,7,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-3-one C₂₉H₄₄O₄

(5S,8R,9S,10R,13S,14S,17R)-17-[(2R,5R)-5-ethyl-5-hydroxy-6-methylhept-6-en-2-yl]-10-methyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carboxylic acid C₂₉H₄₄O₄

(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,12a-pentamethyl-9-methylidene-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid C₂₉H₄₄O₄