| CAS Number | 153409-16-6 |
| Catalog Number | AG00ADQO(AGN-PC-0Q6JON) |
| Chemical Name | Capsaicin beta-D-glucopyranoside |
| IUPAC Name | (E)-N-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-8-methylnon-6-enamide |
| InChI | InChI=1S/C24H37NO8/c1-15(2)8-6-4-5-7-9-20(27)25-13-16-10-11-17(18(12-16)31-3)32-24-23(30)22(29)21(28)19(14-26)33-24/h6,8,10-12,15,19,21-24,26,28-30H,4-5,7,9,13-14H2,1-3H3,(H,25,27)/b8-6+ |
| InChI Key | HEYWYCJIIXVRPS-SOFGYWHQSA-N |
| MDL Number | MFCD22124716 |
| Molecular Formula | C24H37NO8 |
| Molecular Weight | 467.5525 |
| SMILES | O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=CC(CNC(=O)CCCC/C=C/C(C)C)=CC=1OC |
| Synonyms | Capsaicin beta-D-Glucopyranoside,
153409-16-6,
DTXSID50719958,
(6E)-N-{[4-(Hexopyranosyloxy)-3-methoxyphenyl]methyl}-8-methylnon-6-enamide,
C2548,
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| Complexity | 601 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 467.252g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 467.559g/mol |
| Monoisotopic Mass | 467.252g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number