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Home > Encyclopedia > 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

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

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 structure

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 

structure
  • CAS No:

    20370-94-9

  • Formula:

    C33H39N2O9+

  • 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

  • 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)

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

Characteristics

118 Ų

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

Guide of 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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