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Ortataxel

Molecular formula:C44H57NO17
Average mass:871.930
Monoisotopic mass:871.362649
ChemSpider ID:5293609
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12 of 12 defined stereocentres

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(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-Diacetoxy-9-hydroxy-15-{[(2R,3S)-2-hydroxy-5-methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoyl]oxy}-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trio xapentacyclo[11.6.1.0~1,16~.0~3,10~.0~4,7~]icos-13-en-2-yl benzoate

[ACD/IUPAC Name]

(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-Diacetoxy-9-hydroxy-15-{[(2R,3S)-2-hydroxy-5-methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoyl]oxy}-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trio xapentacyclo[11.6.1.0~1,16~.0~3,10~.0~4,7~]icos-13-en-2-yl-benzoat

[German]

[ACD/IUPAC Name]

186348-23-2

[RN]

8H61Y4E29N

[UNII]

Benzoate de (1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-diacétoxy-9-hydroxy-15-{[(2R,3S)-2-hydroxy-5-méthyl-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)hexanoyl]oxy}-10,14,20,20-tétraméthyl-11,18-dioxo- 6,17,19-trioxapentacyclo[11.6.1.0~1,16~.0~3,10~.0~4,7~]icos-13-én-2-yle

[French]

[ACD/IUPAC Name]

Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahyd ro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-1,3-dioxolo[8,9]cyclodeca[1,2-d][1]benzoxet-4-yl ester, (2R,3S)-

[ACD/Index Name]

Ortataxel

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Unverified

(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-5-methylhexanoyl]oxy}-9-hydroxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl benzoate

(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-5-methylhexanoyl]oxy}-9-hydroxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl benzoateNA

Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,1

SB-T-101131

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