N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(4-Fluorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]benzamide
11946
Reference
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(4-Fluorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]benzamide 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]benzamide
ID: Reference11946
Other Names: NAT5-396588
Formula: C29H37FN2O3
Spectral Data
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(4-Fluorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]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 | 3119 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/14/2022 1:33:36 PM |
Identificators
| InChI | InChI=1S/C29H37FN2O3/c1-18(27(34)31-17-20-9-11-22(30)12-10-20)23-13-15-29(3)16-14-24(19(2)25(29)26(23)33)32-28(35)21-7-5-4-6-8-21/h4-12,18-19,23-26,33H,13-17H2,1-3H3,(H,31,34)(H,32,35)/t18-,19+,23?,24-,25+,26-,29-/m0/s1 |
| InChI Key | ZKBYYGKHQPFYHC-VQSTVDMASA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=C(C=C3)F)O)C)NC(=O)C4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT5-396588 |