 Home > Encyclopedia > (1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol

(1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol

(1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol structure

CAS No:
509-16-0
Formula:
C36H51N3O10
Chemical Name:
(1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
Synonyms:
Aconitane-7,8-diol,4-[[[2-[(4-amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxy-,(1α,6β,14α,16β)-;Avadcharidine;(1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol;Avadharidine;(+)-Avadharidine

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Description

ChEBI: A diterpenoid having an aconitane skeleton bearing multiple substituents.

Avadharidine is a diterpenoid having an aconitane skeleton bearing multiple substituents. It is a carboxylic ester, a dicarboxylic acid diamide and a diterpenoid. It derives from a hydride of an aconitane.

(1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol Basic Attributes

Molecular Weight：

685.8

Exact Mass：

685.80

Characteristics

PSA：

179

Melting Point：

88-91 °C

Computed Properties

Molecular Weight:685.8
XLogP3:0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:13
Exact Mass:685.35744483
Monoisotopic Mass:685.35744483
Topological Polar Surface Area:179
Heavy Atom Count:49
Complexity:1320
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol

Description
Basic Attributes
Characteristics
Computed Properties

(1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol

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