[(1R,2R,6R,7S,10S,11R,13S,14R,15R)-13-acetyloxy-1,7-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate
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![[(1R,2R,6R,7S,10S,11R,13S,14R,15R)-13-acetyloxy-1,7-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a99c43752c3a4a659e5a6e957f65fe7a.png "[(1R,2R,6R,7S,10S,11R,13S,14R,15R)-13-acetyloxy-1,7-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate")
[(1R,2R,6R,7S,10S,11R,13S,14R,15R)-13-acetyloxy-1,7-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate
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CAS No:
81345-29-1
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Formula:
C30H37NO8
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Chemical Name:
[(1R,2R,6R,7S,10S,11R,13S,14R,15R)-13-acetyloxy-1,7-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate
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Synonyms:
sapintoxin B;81345-29-1;Benzoic acid, 2-(methylamino)-, (1aR,1bS,4S,4aR,7aR,7bR,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester;CHEMBL504966;DTXSID90231063
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CAS No:
[(1R,2R,6R,7S,10S,11R,13S,14R,15R)-13-acetyloxy-1,7-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate Basic Attributes
539.6 g/mol
539.25191714 g/mol
DTXSID90231063
Computed Properties
Molecular Weight:539.6
XLogP3:2.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:539.25191714
Monoisotopic Mass:539.25191714
Topological Polar Surface Area:142
Heavy Atom Count:39
Complexity:1130
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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