N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclohexanecarboxamide
13100
Reference
N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclohexanecarboxamide Structure
Systematic / IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]cyclohexanecarboxamide
ID: Reference13100
Other Names: NAT8-263898
Formula: C26H41N3O5S
Spectral Data
N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclohexanecarboxamide 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 | 1430 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/12/2024 10:10:36 AM |
Identificators
| InChI | InChI=1S/C26H41N3O5S/c1-25-10-9-20(31)26(2,15-30)19(25)14-18-22(17(25)13-21(32)27-11-12-34-3)28-24(35-18)29-23(33)16-7-5-4-6-8-16/h16-17,19-20,30-31H,4-15H2,1-3H3,(H,27,32)(H,28,29,33)/t17-,19+,20-,25+,26+/m1/s1 |
| InChI Key | KNLIMEFOYXLTKA-BTMGPYGNSA-N |
| Canonical SMILES | CC12CCC(C(C1CC3=C(C2CC(=O)NCCOC)N=C(S3)NC(=O)C4CCCCC4)(C)CO)O |
| CAS | |
| Splash | |
| Other Names | NAT8-263898 |