[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate
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[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate
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CAS No:
131180-20-6
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Formula:
C31H40O16
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Chemical Name:
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate
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Synonyms:
131180-20-6;DTXSID10927113;Trichothec-9-en-8-one, 15-(acetyloxy)-12,13-epoxy-7-hydroxy-3-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-, (3alpha,7alpha)-;7-Hydroxy-8-oxo-3-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate
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CAS No:
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate Basic Attributes
668.6 g/mol
668.23163518 g/mol
Computed Properties
Molecular Weight:668.6
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:14
Exact Mass:668.23163518
Monoisotopic Mass:668.23163518
Topological Polar Surface Area:209
Heavy Atom Count:47
Complexity:1370
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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