Molecular formula: | C46H57NO15S |
Average mass: | 896.014 |
Monoisotopic mass: | 895.344891 |
ChemSpider ID: | 9460994 |
11 of 11 defined stereocentres
(2α,5β,7β,10β,13α)-4-Acetoxy-10-[(cyclopentylcarbonyl)oxy]-1,7-dihydroxy-13-{[(2R,3R)-2-hydroxy-3-[(isopropoxycarbonyl)amino]-3-(2-thienyl)propanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-y l benzoate
[ACD/IUPAC Name](2α,5β,7β,10β,13α)-4-Acetoxy-10-[(cyclopentylcarbonyl)oxy]-1,7-dihydroxy-13-{[(2R,3R)-2-hydroxy-3-[(isopropoxycarbonyl)amino]-3-(2-thienyl)propanoyl]oxy}-9-oxo-5,20-epoxytax-11-en-2-y l-benzoat
[German]
[ACD/IUPAC Name]2-Thiophenepropanoic acid, alpha-hydroxy-beta-[[(1-methylethoxy)carbonyl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-6-[(cyclopentylcarbonyl)oxy]-2a,3,4,4a,5,6,9,10,1 1,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (alphaR,betaR)-
[ACD/Index Name]791635-59-1
[RN]Benzoate de (2α,5β,7β,10β,13α)-4-acétoxy-10-[(cyclopentylcarbonyl)oxy]-1,7-dihydroxy-13-{[(2R,3R)-2-hydroxy-3-[(isopropoxycarbonyl)amino]-3-(2-thiényl)propanoyl]oxy}-9-oxo-5,20-époxyt ax-11-én-2-yle
[French]
[ACD/IUPAC Name]E1M30YOE59
[UNII]Simotaxel
[USAN]