Δ6,7-Baccatin III
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Δ6,7-Baccatin III
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CAS No:
158830-50-3
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Formula:
C31H36O10
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Chemical Name:
Δ6,7-Baccatin III
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Synonyms:
delta6,7-Baccatin III;CTK8E7101;DTXSID40447899;ZINC72130226;AKOS025294627;7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,4a,6,9,10,11,12,12a,12b-decahydro-9,11-dihydroxy-4a,8,13,13-tetramethyl-, (2aR,4aR,6R,9S,11S,12S,12aR,12bS)-
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CAS No:
Δ6,7-Baccatin III Use and Manufacturing
Intermediate used in the preparation of Pacitaxel derivatives
Computed Properties
Molecular Weight:568.6
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:568.23084734
Monoisotopic Mass:568.23084734
Topological Polar Surface Area:146
Heavy Atom Count:41
Complexity:1210
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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