Diacetylindaconitine

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

CAS: 82144-74-9

Molecular Formula	`C38H51NO12`
Molecular Weight	713.8 g/mol
LogP	2.4
Topological Polar Surface Area	145.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	13
Rotatable Bonds	15
Exact Mass	713.3411
Heavy Atoms	51
Complexity	1400.0

Chemical Identifiers

CAS Number	82144-74-9
SMILES	`CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=CC=C7)OC(=O)C)OC)OC(=O)C)OC)OC)OC(=O)C)COC`
InChIKey	`BAKRCOYPPGTZGG-UIURPDEHSA-N`

📖 Product Overview

Diacetylindaconitine (CAS: 82144-74-9) is a chemical compound with molecular formula C38H51NO12 and molecular weight 713.8 g/mol. Its IUPAC systematic name is [(2R,3R,5S,6S,8R,10R,17S)-5,8,14-triacetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate. LogP 2.4 Topological Polar Surface Area 145.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 13 Rotatable Bonds 15 Exact Mass 713.3411 Heavy Atoms 51 Complexity 1400.0 InChI Key: BAKRCOYPPGTZGG-UIURPDEHSA-N. SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=CC=C7)OC(=O)C)OC)OC(=O)C)OC)OC)OC(=O)C)COC.

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