Accessed:
ChemSpider Search and share chemistrynav-icon

Simotaxel

Molecular formula:C46H57NO15S
Average mass:896.014
Monoisotopic mass:895.344891
ChemSpider ID:9460994
stereocenter-icon

11 of 11 defined stereocentres

plus-iconless-iconStructural identifiers
  • Names down_Arrow
plus-iconless-iconNames and synonyms
Verified

(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]
plus-iconless-iconDatabase IDs