bromo (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-3-methyl-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
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bromo (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-3-methyl-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
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CAS No:
84057-91-0
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Formula:
C33H39BrN2O9
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Chemical Name:
bromo (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-3-methyl-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
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Synonyms:
bromoreserpine;Bromoreserpine;84057-91-0;Yohimban-16-carboxylic acid, bromo-11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-;DTXSID201004348;16-[(Bromooxy)carbonyl]-11,17-dimethoxy-1-methylyohimban-18-yl 3,4,5-trimethoxybenzoate;bromo (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-3-methyl-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
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CAS No:
bromo (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-3-methyl-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate Basic Attributes
687.6 g/mol
686.18389 g/mol
Computed Properties
Molecular Weight:687.6
XLogP3:4.9
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:686.18389
Monoisotopic Mass:686.18389
Topological Polar Surface Area:107
Heavy Atom Count:45
Complexity:1040
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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