N-{(1S,2S,8S,8aS)-8-Hydroxy-7-[(2S)-1-(isopropylamino)-1-oxo-2-propanyl]-1,4a-dimethyldecahydro-2-naphthalenyl}isonicotinamide
11950
Reference
N-{(1S,2S,8S,8aS)-8-Hydroxy-7-[(2S)-1-(isopropylamino)-1-oxo-2-propanyl]-1,4a-dimethyldecahydro-2-naphthalenyl}isonicotinamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyridine-4-carboxamide
ID: Reference11950
Other Names: NAT5-397752
Formula: C24H37N3O3
Spectral Data
N-{(1S,2S,8S,8aS)-8-Hydroxy-7-[(2S)-1-(isopropylamino)-1-oxo-2-propanyl]-1,4a-dimethyldecahydro-2-naphthalenyl}isonicotinamide 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 | 3408 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/14/2022 3:02:02 PM |
Identificators
| InChI | InChI=1S/C24H37N3O3/c1-14(2)26-22(29)15(3)18-6-10-24(5)11-7-19(16(4)20(24)21(18)28)27-23(30)17-8-12-25-13-9-17/h8-9,12-16,18-21,28H,6-7,10-11H2,1-5H3,(H,26,29)(H,27,30)/t15-,16+,18?,19-,20+,21-,24-/m0/s1 |
| InChI Key | MYTWZHOLJXRBSC-BJZUZIJGSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NC(C)C)O)C)NC(=O)C3=CC=NC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT5-397752 |