methyl (1R,15R,18S,19R,20S,21R)-18-hydroxy-21-(4-nitrobenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
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methyl (1R,15R,18S,19R,20S,21R)-18-hydroxy-21-(4-nitrobenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
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CAS No:
109460-90-4
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Formula:
C28H29N3O7
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Chemical Name:
methyl (1R,15R,18S,19R,20S,21R)-18-hydroxy-21-(4-nitrobenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
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Synonyms:
14 beta-(4-nitrobenzoyloxy)yohimbine;14-(4-nitrobenzoyloxy)yohimbine;14-NBO-yohimbine;14-Nbo-yohimbine;109460-90-4;14-(4-Nitrobenzoyloxy)yohimbine;14beta-(4-Nitrobenzoyloxy)yohimbine;DTXSID30911175;Methyl 17-hydroxy-14-[(4-nitrobenzoyl)oxy]yohimban-16-carboxylate;methyl (1R,15R,18S,19R,20S,21R)-18-hydroxy-21-(4-nitrobenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;Yohimban-16-carboxylic acid, 17-hydroxy-14-((4-nitrobenzoyl)oxy)-, methyl ester, (14beta,16alpha,17alpha)-
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CAS No:
methyl (1R,15R,18S,19R,20S,21R)-18-hydroxy-21-(4-nitrobenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate Basic Attributes
519.5 g/mol
519.20055027 g/mol
Computed Properties
Molecular Weight:519.5
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:519.20055027
Monoisotopic Mass:519.20055027
Topological Polar Surface Area:138
Heavy Atom Count:38
Complexity:919
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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