N-[(4S,4aR,7R,8R,8aS)-4-{2-[(1,3-Benzodioxol-5-ylmethyl)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]cyclohexanecarboxamide
12063
Reference
N-[(4S,4aR,7R,8R,8aS)-4-{2-[(1,3-Benzodioxol-5-ylmethyl)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]cyclohexanecarboxamide Structure
Systematic / IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]cyclohexanecarboxamide
ID: Reference12063
Other Names: NAT8-263904
Formula: C31H41N3O6S
Spectral Data
N-[(4S,4aR,7R,8R,8aS)-4-{2-[(1,3-Benzodioxol-5-ylmethyl)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]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 | 1270 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/16/2022 8:45:56 AM |
Identificators
| InChI | InChI=1S/C31H41N3O6S/c1-30-11-10-25(36)31(2,16-35)24(30)14-23-27(33-29(41-23)34-28(38)19-6-4-3-5-7-19)20(30)13-26(37)32-15-18-8-9-21-22(12-18)40-17-39-21/h8-9,12,19-20,24-25,35-36H,3-7,10-11,13-17H2,1-2H3,(H,32,37)(H,33,34,38)/t20-,24+,25-,30+,31+/m1/s1 |
| InChI Key | LGZJABBHDUMWEQ-SSONEUTBSA-N |
| Canonical SMILES | CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC5=C(C=C4)OCO5)N=C(S3)NC(=O)C6CCCCC6)(C)CO)O |
| CAS | |
| Splash | |
| Other Names | NAT8-263904 |