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Scammonin I

Molecular formula:C50H84O21
Average mass:1021.201
Monoisotopic mass:1020.550510
ChemSpider ID:23339064
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22 of 22 defined stereocentres

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Double-bond stereo

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(2E)-2-Méthyl-2-buténoate de (2R,3S,4R,5R,6S)-4,5-dihydroxy-2-méthyl-6-{[(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,17S,29R,30S,31S,33R)-4,5,11,12-tétrahydroxy-6-(hydroxyméthyl)-13,31-diméthyl-33-{[(2S)-2 -méthylbutanoyl]oxy}-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatétracyclo[27.3.1.0~3,8~.0~10,15~]tritriacont-30-yl]oxy}tétrahydro-2H-pyran-3-yle

[French]

 [ACD/IUPAC Name]

(2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-methyl-6-{[(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,17S,29R,30S,31S,33R)-4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-33-{[(2S)-2-methylbutanoyl]oxy}-27-oxo-1 7-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0~3,8~.0~10,15~]tritriacont-30-yl]oxy}tetrahydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate

[ACD/IUPAC Name]

(2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-methyl-6-{[(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,17S,29R,30S,31S,33R)-4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-33-{[(2S)-2-methylbutanoyl]oxy}-27-oxo-1 7-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0~3,8~.0~10,15~]tritriacont-30-yl]oxy}tetrahydro-2H-pyran-3-yl-(2E)-2-methyl-2-butenoat

[German]

 [ACD/IUPAC Name]

131747-25-6

[RN]

Scammonin I

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Unverified

(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-methyl-6-{[(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,17S,29R,30S,31S,33R)-4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-33-{[(2S)-2-methylbutanoyl]oxy}-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0~3,8~.0~10,15~]tritriacont-30-yl]oxy}tetrahydro-2H-pyran-3-yl (2E)-2-methylbut-2-enoate (non-preferred name)