DTXSID20979840

(1R,6S,9S,10R,11S,12S,14R,19S,22R,23S,25R)-6,10,19-trimethyl-24-oxa-4-azoniaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-1,10,11,12,14,22,23-heptol chloride

CAS: 63937-16-6

Molecular Formula	`C27H44ClNO8`
Molecular Weight	546.1 g/mol
Topological Polar Surface Area	155.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	9
Rotatable Bonds	0
Exact Mass	545.2756
Heavy Atoms	37
Complexity	999.0

Chemical Identifiers

CAS Number	63937-16-6
SMILES	`CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3C[NH+]2C1)O)OC6(C(CC7)O)O)C)O)O)O)(C)O.[Cl-]`
InChIKey	`BOPCVKJJANJMDO-IJLXEGJUSA-N`

📖 Product Overview

DTXSID20979840 (CAS: 63937-16-6) is a chemical compound with molecular formula C27H44ClNO8 and molecular weight 546.1 g/mol. Its IUPAC systematic name is (1R,6S,9S,10R,11S,12S,14R,19S,22R,23S,25R)-6,10,19-trimethyl-24-oxa-4-azoniaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-1,10,11,12,14,22,23-heptol chloride. Topological Polar Surface Area 155.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 9 Rotatable Bonds 0 Exact Mass 545.2756 Heavy Atoms 37 Complexity 999.0 InChI Key: BOPCVKJJANJMDO-IJLXEGJUSA-N. SMILES: CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3C[NH+]2C1)O)OC6(C(CC7)O)O)C)O)O)O)(C)O.[Cl-].

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