Compound C36H50BrNO12

[(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

CAS: 78600-25-6

Molecular Formula	`C36H50BrNO12`
Molecular Weight	768.7 g/mol
Topological Polar Surface Area	161.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	13
Rotatable Bonds	13
Exact Mass	767.25165
Heavy Atoms	50
Complexity	1320.0

Chemical Identifiers

CAS Number	78600-25-6
SMILES	`CC[NH+]1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)OC(=O)C)COC.[Br-]`
InChIKey	`SPAMTIDCTYPTMV-MZJISZQOSA-N`

📖 Product Overview

Compound C36H50BrNO12 (CAS: 78600-25-6) is a chemical compound with molecular formula C36H50BrNO12 and molecular weight 768.7 g/mol. Its IUPAC systematic name is [(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. Topological Polar Surface Area 161.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 13 Rotatable Bonds 13 Exact Mass 767.25165 Heavy Atoms 50 Complexity 1320.0 InChI Key: SPAMTIDCTYPTMV-MZJISZQOSA-N. SMILES: CC[NH+]1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)OC(=O)C)COC.[Br-].

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