methyl (15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-3H-yohimban-13-ium-19-carboxylate
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methyl (15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-3H-yohimban-13-ium-19-carboxylate
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CAS No:
20370-94-9
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Formula:
C33H39N2O9+
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Chemical Name:
methyl (15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-3H-yohimban-13-ium-19-carboxylate
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Synonyms:
3,4-Didehydroreserpine;3-Dehydroreserpine;20370-94-9;3,4-Dehydroreserpine;DTXSID40174299;ZINC72131105;methyl (15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-3H-yohimban-13-ium-19-carboxylate;Yohimbanium, 3,4-didehydro-11,17-dimethoxy-16-(methoxycarbonyl)-18-((3,4,5- trimethoxybenzoyl)oxy)-, (16beta,17alpha,18beta,20alpha)
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CAS No:
methyl (15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-3H-yohimban-13-ium-19-carboxylate Basic Attributes
607.7 g/mol
607.26555583 g/mol
DTXSID40174299
Computed Properties
Molecular Weight:607.7
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:607.26555583
Monoisotopic Mass:607.26555583
Topological Polar Surface Area:118
Heavy Atom Count:44
Formal Charge:1
Complexity:1070
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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