Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3α,4β,8α)-
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Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3α,4β,8α)-
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CAS No:
116163-74-7
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Formula:
C24H34O9
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Chemical Name:
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3α,4β,8α)-
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Synonyms:
Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-,4,15-diacetate 8-pentanoate,(3α,4β,8α)-;Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane],trichothec-9-ene-3,4,8,15-tetrol deriv.;8-n-Pentanoylneosolaniol;Neosolaniol 8-pentanoate
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CAS No:
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3α,4β,8α)- Basic Attributes
466.52100
466.52
Characteristics
120.89000
1.83680
1.28g/cm3
152.5-153 °C
549.3ºC at 760mmHg
178.8ºC
1.547
2.36E-14mmHg at 25°C
Computed Properties
Molecular Weight:466.5
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:466.22028266
Monoisotopic Mass:466.22028266
Topological Polar Surface Area:121
Heavy Atom Count:33
Complexity:868
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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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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Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-hexanoate, (3α,4β,8α)- Formula
118143-01-4
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