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

CAS: 8006-38-0

Molecular Formula	`C34H47NO11`
Molecular Weight	645.7 g/mol
LogP	0.3
Topological Polar Surface Area	153.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	11
Exact Mass	645.31494
Heavy Atoms	46
Complexity	1210.0

Chemical Identifiers

CAS Number	8006-38-0
SMILES	`CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC`
InChIKey	`XFSBVAOIAHNAPC-SNMMDUFQSA-N`

📖 Product Overview

[(2R,3R,5R,8R,10R,17S)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate (CAS: 8006-38-0) is a chemical compound with molecular formula C34H47NO11 and molecular weight 645.7 g/mol. Its IUPAC systematic name is [(2R,3R,5R,8R,10R,17S)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate. LogP 0.3 Topological Polar Surface Area 153.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 12 Rotatable Bonds 11 Exact Mass 645.31494 Heavy Atoms 46 Complexity 1210.0 InChI Key: XFSBVAOIAHNAPC-SNMMDUFQSA-N. SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [(2R,3R,5R,8R,10R,17S)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-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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