Ludaconitine diacetate

[(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

CAS: 82144-73-8

Molecular Formula	`C36H49NO11`
Molecular Weight	671.8 g/mol
LogP	1.8
Topological Polar Surface Area	139.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	12
Rotatable Bonds	13
Exact Mass	671.33057
Heavy Atoms	48
Complexity	1290.0

Chemical Identifiers

CAS Number	82144-73-8
SMILES	`CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=CC=C7)O)OC)OC(=O)C)OC)OC)OC(=O)C)COC`
InChIKey	`SETYSPQJJWEOEA-CJBSRKJYSA-N`

📖 Product Overview

Ludaconitine diacetate (CAS: 82144-73-8) is a chemical compound with molecular formula C36H49NO11 and molecular weight 671.8 g/mol. Its IUPAC systematic name is [(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. LogP 1.8 Topological Polar Surface Area 139.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 12 Rotatable Bonds 13 Exact Mass 671.33057 Heavy Atoms 48 Complexity 1290.0 InChI Key: SETYSPQJJWEOEA-CJBSRKJYSA-N. SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=CC=C7)O)OC)OC(=O)C)OC)OC)OC(=O)C)COC.

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