N-[(1S,2S,8S,8aS)-7-{(2S)-1-[Benzyl(methyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]cyclohexanecarboxamide
13137
Reference
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[Benzyl(methyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]cyclohexanecarboxamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-[Benzyl(methyl)amino]-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]cyclohexanecarboxamide
ID: Reference13137
Other Names: NAT5-396794
Formula: C30H46N2O3
Spectral Data
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[Benzyl(methyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]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 | 2145 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/9/2024 10:49:58 AM |
Identificators
| InChI | InChI=1S/C30H46N2O3/c1-20(29(35)32(4)19-22-11-7-5-8-12-22)24-15-17-30(3)18-16-25(21(2)26(30)27(24)33)31-28(34)23-13-9-6-10-14-23/h5,7-8,11-12,20-21,23-27,33H,6,9-10,13-19H2,1-4H3,(H,31,34)/t20-,21+,24?,25-,26+,27-,30-/m0/s1 |
| InChI Key | RTXAFYVWLFPEQA-TUEPTTBHSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N(C)CC3=CC=CC=C3)O)C)NC(=O)C4CCCCC4 |
| CAS | |
| Splash | |
| Other Names | NAT5-396794 |