Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-hexanoate, (3α,4β,8α)-
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Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-hexanoate, (3α,4β,8α)-
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CAS No:
118143-01-4
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Formula:
C25H36O9
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Chemical Name:
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-hexanoate, (3α,4β,8α)-
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Synonyms:
Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-,4,15-diacetate 8-hexanoate,(3α,4β,8α)-;Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane],trichothec-9-ene-3,4,8,15-tetrol deriv.;8-n-Hexanoylneosolaniol;Neosolaniol 8-hexanoate
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CAS No:
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-hexanoate, (3α,4β,8α)- Basic Attributes
480.54800
480.55
Characteristics
120.89000
2.22690
1.26g/cm3
146-147 °C
560ºC at 760mmHg
180.3ºC
1.545
7.14E-15mmHg at 25°C
Computed Properties
Molecular Weight:480.5
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:480.23593272
Monoisotopic Mass:480.23593272
Topological Polar Surface Area:121
Heavy Atom Count:34
Complexity:884
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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