N-[(4S,4aR,7R,8R,8aS)-4-{2-[Allyl(methyl)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-(2-methyl-2-propanyl)benzamide
11919
Reference
N-[(4S,4aR,7R,8R,8aS)-4-{2-[Allyl(methyl)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-(2-methyl-2-propanyl)benzamide Structure
Systematic / IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-[methyl(prop-2-enyl)amino]-2-oxoethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-tert-butylbenzamide
ID: Reference11919
Other Names: NAT8-263956
Formula: C31H43N3O4S
Spectral Data
N-[(4S,4aR,7R,8R,8aS)-4-{2-[Allyl(methyl)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-(2-methyl-2-propanyl)benzamide 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 | 952 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/7/2022 9:53:53 AM |
Identificators
| InChI | InChI=1S/C31H43N3O4S/c1-8-15-34(7)25(37)16-21-26-22(17-23-30(21,5)14-13-24(36)31(23,6)18-35)39-28(32-26)33-27(38)19-9-11-20(12-10-19)29(2,3)4/h8-12,21,23-24,35-36H,1,13-18H2,2-7H3,(H,32,33,38)/t21-,23+,24-,30+,31+/m1/s1 |
| InChI Key | WCGSBTYWKSFTDF-CVMQZHLPSA-N |
| Canonical SMILES | CC12CCC(C(C1CC3=C(C2CC(=O)N(C)CC=C)N=C(S3)NC(=O)C4=CC=C(C=C4)C(C)(C)C)(C)CO)O |
| CAS | |
| Splash | |
| Other Names | NAT8-263956 |