nonactin

(1S,2S,5S,7S,10R,11R,14R,16R,19S,20S,23S,25S,28R,29R,32R,34R)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone

CAS: 6833-84-7

Molecular Formula	`C40H64O12`
Molecular Weight	736.9 g/mol
LogP	6.6
Topological Polar Surface Area	142.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	12
Rotatable Bonds	0
Exact Mass	736.43976
Heavy Atoms	52
Complexity	1040.0

Chemical Identifiers

CAS Number	6833-84-7
SMILES	`CC1CC2CCC(O2)C(C(=O)OC(CC3CCC(O3)C(C(=O)OC(CC4CCC(O4)C(C(=O)OC(CC5CCC(O5)C(C(=O)O1)C)C)C)C)C)C)C`
InChIKey	`RMIXHJPMNBXMBU-QIIXEHPYSA-N`

📖 Product Overview

nonactin (CAS: 6833-84-7) is a chemical compound with molecular formula C40H64O12 and molecular weight 736.9 g/mol. Its IUPAC systematic name is (1S,2S,5S,7S,10R,11R,14R,16R,19S,20S,23S,25S,28R,29R,32R,34R)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone. LogP 6.6 Topological Polar Surface Area 142.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 12 Rotatable Bonds 0 Exact Mass 736.43976 Heavy Atoms 52 Complexity 1040.0 InChI Key: RMIXHJPMNBXMBU-QIIXEHPYSA-N. SMILES: CC1CC2CCC(O2)C(C(=O)OC(CC3CCC(O3)C(C(=O)OC(CC4CCC(O4)C(C(=O)OC(CC5CCC(O5)C(C(=O)O1)C)C)C)C)C)C)C.

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