N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-methoxybenzamide
11454
Reference
N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-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)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-methoxybenzamide
ID: Reference11454
Other Names: NAT8-263804
Formula: C30H41N3O5S
Spectral Data
N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-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 | 615 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/6/2022 3:03:54 PM |
Identificators
| InChI | InChI=1S/C30H41N3O5S/c1-18-10-13-33(14-11-18)25(36)15-21-26-22(16-23-29(21,2)12-9-24(35)30(23,3)17-34)39-28(31-26)32-27(37)19-5-7-20(38-4)8-6-19/h5-8,18,21,23-24,34-35H,9-17H2,1-4H3,(H,31,32,37)/t21-,23+,24-,29+,30+/m1/s1 |
| InChI Key | AWKKSQMVXNFGHR-CZBFSEFDSA-N |
| Canonical SMILES | CC1CCN(CC1)C(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NC(=O)C5=CC=C(C=C5)OC |
| CAS | |
| Splash | |
| Other Names | NAT8-263804 |