N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-2-propanyl]decahydro-2-naphthalenyl}benzamide
12164
Reference
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-2-propanyl]decahydro-2-naphthalenyl}benzamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]benzamide
ID: Reference12164
Other Names: NAT5-396577
Formula: C28H43N3O4
Spectral Data
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-2-propanyl]decahydro-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 | 2872 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/24/2023 9:42:53 AM |
Identificators
| InChI | InChI=1S/C28H43N3O4/c1-19(26(33)29-13-14-31-15-17-35-18-16-31)22-9-11-28(3)12-10-23(20(2)24(28)25(22)32)30-27(34)21-7-5-4-6-8-21/h4-8,19-20,22-25,32H,9-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,20+,22?,23-,24+,25-,28-/m0/s1 |
| InChI Key | RFUIMCCCZSTNTK-PEYDNZRASA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCCN3CCOCC3)O)C)NC(=O)C4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT5-396577 |