MedKoo Code#:  202620

Name:  Simotaxel

CAS#:  791635-59-1

Synonym:   TL-909; MST-997

(2aR,4S,4aS,6R,9S,11S,12S,12bS)-12b-acetoxy-6-((cyclopentanecarbonyl)oxy)-4,11-dihydroxy-9-(((2R,3R)-2-hydroxy-3-((isopropoxycarbonyl)amino)-3-(thiophen-2-yl)propanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate

Chemical Formula: C46H57NO15S

Exact Mass: 895.34489

Molecular Weight: 896.0

m/z: 895.34489 (100.0%), 896.34825 (49.8%), 897.35160 (12.1%), 897.34069 (4.5%), 897.34914 (3.1%), 898.34404 (2.2%), 898.35496 (1.9%), 898.35249 (1.5%)

Elemental Analysis: C, 61.66; H, 6.41; N, 1.56; O, 26.78; S, 3.58

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References