Aconitine 3-monoacetate

Name: Aconitine 3-monoacetate
Brand: CoreyChem
SKU: CAS:77181-26-1
Price: Contact for pricing USD
Availability: InStock

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

Also Known As: 3-Acetylaconitine|Flaconitine|Aconitine 3-acetate|ACETYLACONITINE|Aconitine 3-monoacetate|AC1L1F7R|N8Y4AH95JL|[(2R,3R,5R,6S,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate|Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 3,8-diacetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-|Aconitane-3,8,13,14,15-pentol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 14-benzoate 3,8-diacetate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

CAS: 77181-26-1

Molecular Formula	`C36H49NO12`
Molecular Weight	687.3255 g/mol
LogP	1.22
Topological Polar Surface Area	159.52 Å²
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	13
Rotatable Bonds	10
Exact Mass	687.3255
Heavy Atoms	49
Complexity	1476.7

Chemical Identifiers

CAS Number	77181-26-1
SMILES	`CCN1CC2([C@H]3C(C4[C@@H]1C3([C@@H]5C[C@@]6([C@H](C([C@]4([C@H]5C6OC(=O)C7=CC=CC=C7)OC(=O)C)O)OC)O)C(CC2OC(=O)C)OC)OC)COC`

Product Overview

Aconitine 3-monoacetate (CAS 77181-26-1), with molecular formula C36H49NO12 and molecular weight 687.3255 g/mol. IUPAC: [(2R,3R,5R,6S,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate.

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