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7561-71-9,MFCD00950778
Catalog No.:AA005JES

7561-71-9 | (1r,2r,5r,7r,10s,11s,14s,16s,19r,20r,23r,25r,28s,29s,32s,34s)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$572.00   $400.00
- +
5mg
≥95%
in stock  
$2,282.00   $1,597.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005JES
Chemical Name:
(1r,2r,5r,7r,10s,11s,14s,16s,19r,20r,23r,25r,28s,29s,32s,34s)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-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 Number:
7561-71-9
Molecular Formula:
C43H70O12
Molecular Weight:
779.0087
MDL Number:
MFCD00950778
SMILES:
CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C[C@H]2O[C@@H]([C@H](C(=O)O[C@@H](C[C@@H]3O[C@H]([C@@H](C(=O)O1)C)CC3)CC)C)CC2)C
Properties
Computed Properties
 
Complexity:
1270  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
16  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
8.2  

Literature

Title: Process analysis of macrotetrolide biosynthesis during fermentation by means of direct infusion LC-MS.

Journal: Biotechnology journal 20080201

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Tags:7561-71-9 Molecular Formula|7561-71-9 MDL|7561-71-9 SMILES|7561-71-9 (1r,2r,5r,7r,10s,11s,14s,16s,19r,20r,23r,25r,28s,29s,32s,34s)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
Catalog No.: AA005JES
7561-71-9,MFCD00950778
7561-71-9 | (1r,2r,5r,7r,10s,11s,14s,16s,19r,20r,23r,25r,28s,29s,32s,34s)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
Pack Size： 1mg
Purity： ≥95%
in stock
$572.00 $400.00
Pack Size： 5mg
Purity： ≥95%
in stock
$2,282.00 $1,597.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA005JES
Chemical Name: (1r,2r,5r,7r,10s,11s,14s,16s,19r,20r,23r,25r,28s,29s,32s,34s)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-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 Number: 7561-71-9
Molecular Formula: C43H70O12
Molecular Weight: 779.0087
MDL Number: MFCD00950778
SMILES: CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C[C@H]2O[C@@H]([C@H](C(=O)O[C@@H](C[C@@H]3O[C@H]([C@@H](C(=O)O1)C)CC3)CC)C)CC2)C
Properties
Complexity: 1270  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 16  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 55  
Hydrogen Bond Acceptor Count: 12  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 8.2  
Literature fold

Title: Process analysis of macrotetrolide biosynthesis during fermentation by means of direct infusion LC-MS.

Journal: Biotechnology journal20080201

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