| CAS Number | 17391-18-3 |
| Catalog Number | AG00ABNG(AGN-PC-0QAFCD) |
| Chemical Name | Corynoxine B |
| 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 |
| MDL Number | MFCD22124999 |
| Molecular Formula | C22H28N2O4 |
| Molecular Weight | 384.4687 |
| SMILES | O=C1NC2C=CC=CC=2[C@]21CCN1C[C@@H](CC)[C@@H](/C(=COC)/C(=O)OC)C[C@@]21[H] |
| Synonyms | corynoxine B,
Corynoxine B,
17391-18-3,
CHEBI:70070,
CHEMBL1909423,
SCHEMBL17531564,
HY-N0901A,
MFCD22124999,
ZINC17149644,
AKOS030526655,
CS-3804,
Rhyncophylline,
ACN-047221,
CID10091424,
C000600670,
6877-32-3,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number