N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(4-Fluorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-3,3-dimethylbutanamide
12135
Reference
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(4-Fluorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-3,3-dimethylbutanamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-[(4-Fluorophenyl)methylamino]-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide
ID: Reference12135
Other Names: NAT5-396674
Formula: C28H43FN2O3
Spectral Data
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(4-Fluorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-3,3-dimethylbutanamide 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 | 3184 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/16/2023 1:24:12 PM |
Identificators
| InChI | InChI=1S/C28H43FN2O3/c1-17(26(34)30-16-19-7-9-20(29)10-8-19)21-11-13-28(6)14-12-22(18(2)24(28)25(21)33)31-23(32)15-27(3,4)5/h7-10,17-18,21-22,24-25,33H,11-16H2,1-6H3,(H,30,34)(H,31,32)/t17-,18+,21?,22-,24+,25-,28-/m0/s1 |
| InChI Key | GHVDDKULJOZMAX-PMYGFZMVSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=C(C=C3)F)O)C)NC(=O)CC(C)(C)C |
| CAS | |
| Splash | |
| Other Names | NAT5-396674 |