AC1L4J8B

4-[2-[(1S,2S,4S,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-4-oxobutanoic acid

Also Known As: 4-[2-(12-Fluoro-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-oxobutanoic acid|4-{2-[(4aR,4bS,5S,6aS,6bS,9aS,10aS,10bS,12S)-12-Fluoro-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-oxobutanoic acid

Molecular Formula	C28H35FO9
Molecular Weight	534.2265 g/mol
LogP	2.6
Topological Polar Surface Area	136.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	534.2265
Monoisotopic Mass	534.2265
Heavy Atoms	38
Complexity	1140.0

Chemical Identifiers

CAS Number	82294-75-5
SMILES	C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)CCC(=O)O)C[C@@H](C5=CC(=O)C=C[C@]35C)F)O
InChIKey	JTYXNBSYAWJMJK-CEAXPZSDSA-N