Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-butanoate, (3α,4β,8α)-
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Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-butanoate, (3α,4β,8α)-
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CAS No:
98813-18-4
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Formula:
C23H32O9
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Chemical Name:
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-butanoate, (3α,4β,8α)-
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Synonyms:
Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-,4,15-diacetate 8-butanoate,(3α,4β,8α)-;Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane],trichothec-9-ene-3,4,8,15-tetrol deriv.;116163-73-6
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CAS No:
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-butanoate, (3α,4β,8α)- Basic Attributes
452.5 g/mol
452.49
DTXSID10243825
Computed Properties
Molecular Weight:452.5
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:452.20463259
Monoisotopic Mass:452.20463259
Topological Polar Surface Area:121
Heavy Atom Count:32
Complexity:852
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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