N-[(4S,4aR,7R,8R,8aS)-4-{2-[(2-Furylmethyl)amino]-2-oxoethyl}-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzamide
12298
Reference
N-[(4S,4aR,7R,8R,8aS)-4-{2-[(2-Furylmethyl)amino]-2-oxoethyl}-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzamide Structure
Systematic / IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(Furan-2-ylmethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-methoxybenzamide
ID: Reference12298
Other Names: NAT8-258792
Formula: C29H35N3O6S
Spectral Data
N-[(4S,4aR,7R,8R,8aS)-4-{2-[(2-Furylmethyl)amino]-2-oxoethyl}-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 460 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/24/2023 1:21:59 PM |
Identificators
| InChI | InChI=1S/C29H35N3O6S/c1-28-11-10-23(34)29(2,16-33)22(28)14-21-25(20(28)13-24(35)30-15-19-5-4-12-38-19)31-27(39-21)32-26(36)17-6-8-18(37-3)9-7-17/h4-9,12,20,22-23,33-34H,10-11,13-16H2,1-3H3,(H,30,35)(H,31,32,36)/t20-,22+,23-,28+,29+/m1/s1 |
| InChI Key | SJKXKFYQGGCEHB-RUMONJKUSA-N |
| Canonical SMILES | CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=CO4)N=C(S3)NC(=O)C5=CC=C(C=C5)OC)(C)CO)O |
| CAS | |
| Splash | |
| Other Names | NAT8-258792 |