 Home > Encyclopedia > [(2R,3R,5R,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate;bromide

[(2R,3R,5R,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate;bromide

[(2R,3R,5R,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate;bromide structure

CAS No:
78600-25-6
Formula:
C36H50BrNO12
Chemical Name:
[(2R,3R,5R,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate;bromide
Synonyms:
3-Acetylaconitine, hydrobromide;ACONITINE, 3-ACETYL-, HYDROBROMIDE;78600-25-6

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[(2R,3R,5R,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate;bromide Basic Attributes

Molecular Weight：

768.7 g/mol

Exact Mass：

767.25164 g/mol

Characteristics

PSA：

161 Å²

Computed Properties

Molecular Weight:768.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:13
Exact Mass:767.25164
Monoisotopic Mass:767.25164
Topological Polar Surface Area:161
Heavy Atom Count:50
Complexity:1320
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of [(2R,3R,5R,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate;bromide

Basic Attributes
Characteristics
Computed Properties

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