 Home > Encyclopedia > [(2R,3R,5S,6S,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

[(2R,3R,5S,6S,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

[(2R,3R,5S,6S,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate structure

CAS No:
82144-73-8
Formula:
C36H49NO11
Chemical Name:
[(2R,3R,5S,6S,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Synonyms:
Ludaconitine diacetate;3-Acetylindaconitine;Indaconitine 3-acetate;Indaconitine, 3-acetyl-;Ludaconitine 3,8-diacetate;82144-73-8;Aconitane-3,8,13,14-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 3,8-diacetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,16beta)-;Aconitane-3,8,13,14-tetrol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 14-benzoate 3,8-diacetate, (1-alpha,3-alpha,6-alpha,14-alpha,16-beta)-

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[(2R,3R,5S,6S,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate Basic Attributes

Molecular Weight：

671.8 g/mol

Exact Mass：

671.33056138 g/mol

Characteristics

PSA：

139 Å²

Computed Properties

Molecular Weight:671.8
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:13
Exact Mass:671.33056138
Monoisotopic Mass:671.33056138
Topological Polar Surface Area:139
Heavy Atom Count:48
Complexity:1290
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2R,3R,5S,6S,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Basic Attributes
Characteristics
Computed Properties
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