112825-05-5,MFCD00153837
Catalog No.:AA008Y1B

112825-05-5 | METHYLLYCACONITINE CITRATE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥98%
in stock  
$195.00   $137.00
- +
25mg
≥98%
in stock  
$559.00   $392.00
- +
  • Technical Information
  • Properties
  • Literature
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Technical Information
Catalog Number:
AA008Y1B
Chemical Name:
METHYLLYCACONITINE CITRATE
CAS Number:
112825-05-5
Molecular Formula:
C43H58N2O17
Molecular Weight:
874.9238
MDL Number:
MFCD00153837
SMILES:
OC(=O)CC(C(=O)O)(CC(=O)O)O.CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]1[C@@](O)([C@H](C23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C
Properties
Computed Properties
 
Complexity:
1610  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
13  
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
18  
Hydrogen Bond Donor Count:
6  
Rotatable Bond Count:
15  
Undefined Atom Stereocenter Count:
1  

Literature
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SDS
Tags:112825-05-5 Molecular Formula|112825-05-5 MDL|112825-05-5 SMILES|112825-05-5 METHYLLYCACONITINE CITRATE
Catalog No.: AA008Y1B
112825-05-5,MFCD00153837
112825-05-5 | METHYLLYCACONITINE CITRATE
Pack Size: 5mg
Purity: ≥98%
in stock
$195.00 $137.00
Pack Size: 25mg
Purity: ≥98%
in stock
$559.00 $392.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA008Y1B
Chemical Name: METHYLLYCACONITINE CITRATE
CAS Number: 112825-05-5
Molecular Formula: C43H58N2O17
Molecular Weight: 874.9238
MDL Number: MFCD00153837
SMILES: OC(=O)CC(C(=O)O)(CC(=O)O)O.CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]1[C@@](O)([C@H](C23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C
Properties
Complexity: 1610  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 13  
Heavy Atom Count: 62  
Hydrogen Bond Acceptor Count: 18  
Hydrogen Bond Donor Count: 6  
Rotatable Bond Count: 15  
Undefined Atom Stereocenter Count: 1  
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