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-(2-methyl-2-propanyl)benzamide
11411
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-(2-methyl-2-propanyl)benzamide 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-tert-butylbenzamide
ID: Reference11411
Other Names: NAT8-263958
Formula: C32H41N3O5S
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-(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 | 645 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/25/2022 1:43:11 PM |
Identificators
| InChI | InChI=1S/C32H41N3O5S/c1-30(2,3)20-10-8-19(9-11-20)28(39)35-29-34-27-22(15-26(38)33-17-21-7-6-14-40-21)31(4)13-12-25(37)32(5,18-36)24(31)16-23(27)41-29/h6-11,14,22,24-25,36-37H,12-13,15-18H2,1-5H3,(H,33,38)(H,34,35,39)/t22-,24+,25-,31+,32+/m1/s1 |
| InChI Key | PTUUAGMAWHCEPQ-VYVOAWDYSA-N |
| Canonical SMILES | CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=CO4)N=C(S3)NC(=O)C5=CC=C(C=C5)C(C)(C)C)(C)CO)O |
| CAS | |
| Splash | |
| Other Names | NAT8-263958 |