[(2S,3S,4R,5R,7S,8R,9S,11S,13S,14R,17R)-2,7,9-triacetyloxy-13-chloro-11-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-5-yl] benzoate
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![[(2S,3S,4R,5R,7S,8R,9S,11S,13S,14R,17R)-2,7,9-triacetyloxy-13-chloro-11-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-5-yl] benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9af6a15a54e549d9bca400449334e759.png "[(2S,3S,4R,5R,7S,8R,9S,11S,13S,14R,17R)-2,7,9-triacetyloxy-13-chloro-11-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-5-yl] benzoate")
[(2S,3S,4R,5R,7S,8R,9S,11S,13S,14R,17R)-2,7,9-triacetyloxy-13-chloro-11-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-5-yl] benzoate
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CAS No:
90043-00-8
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Formula:
C33H39ClO12
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Chemical Name:
[(2S,3S,4R,5R,7S,8R,9S,11S,13S,14R,17R)-2,7,9-triacetyloxy-13-chloro-11-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-5-yl] benzoate
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Synonyms:
90043-00-8;DTXSID501009109;12-O-Deacetyl-12-O-benzoylpteroidine;Pteroidine, 12-O-deacetyl-12-O-benzoyl-;5H-6,13a-Epoxybenzo(4,5)cyclodeca(1,2-b)furan-2(1H)-one, 8,9,13-tris(acetyloxy)-11-(benzoyloxy)-4-chlorododecahydro-6-hydroxy-1,8a,12-trimethyl-5-methylene-, (1R-(1R*,3aR*,4S*,6S*,8S*,8aR*,9S*,11R*,12R*,12aS*,13S*,13aR*))-;8,9,13-Tris(acetyloxy)-4-chloro-6-hydroxy-1,8a,12-trimethyl-5-methylidene-2-oxotetradecahydro-3aH-6,13a-epoxybenzo[4,5]cyclodeca[1,2-b]furan-11-yl benzoate
- Categories:
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CAS No:
[(2S,3S,4R,5R,7S,8R,9S,11S,13S,14R,17R)-2,7,9-triacetyloxy-13-chloro-11-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-5-yl] benzoate Basic Attributes
663.1 g/mol
662.2130044 g/mol
Computed Properties
Molecular Weight:663.1
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:662.2130044
Monoisotopic Mass:662.2130044
Topological Polar Surface Area:161
Heavy Atom Count:46
Complexity:1300
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of [(2S,3S,4R,5R,7S,8R,9S,11S,13S,14R,17R)-2,7,9-triacetyloxy-13-chloro-11-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-5-yl] benzoate
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