Home Other Building Blocks Corynoxine B

Corynoxine B

CAS No.:
17391-18-3
Catalog Number:
AG00ABNG
Molecular Formula:
C22H28N2O4
Molecular Weight:
384.4687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$298
- +
10mg
99%
1 week
United States
$482
- +
Product Description
Catalog Number:
AG00ABNG
Chemical Name:
Corynoxine B
CAS Number:
17391-18-3
Molecular Formula:
C22H28N2O4
Molecular Weight:
384.4687
MDL Number:
MFCD22124999
IUPAC Name:
methyl (E)-2-[(3R,6'S,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
InChI:
InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15+,19+,22-/m1/s1
InChI Key:
DAXYUDFNWXHGBE-XYEDMTIPSA-N
SMILES:
CO/C=C(\[C@H]1C[C@@H]2N(C[C@H]1CC)CC[C@@]12C(=O)Nc2c1cccc2)/C(=O)OC
Properties
Complexity:
663  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
1  
Exact Mass:
384.205g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
384.476g/mol
Monoisotopic Mass:
384.205g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Macrophyllionium and macrophyllines A and B, oxindole alkaloids from Uncaria macrophylla. Journal of natural products 20110128
Properties