N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(2-Furylmethyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]cyclohexanecarboxamide
13325
Reference
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(2-Furylmethyl)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-(Furan-2-ylmethylamino)-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]cyclohexanecarboxamide
ID: Reference13325
Other Names: NAT5-396804
Formula: C27H42N2O4
Spectral Data
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(2-Furylmethyl)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 | 3321 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/17/2025 8:14:29 PM |
Identificators
| InChI | InChI=1S/C27H42N2O4/c1-17(25(31)28-16-20-10-7-15-33-20)21-11-13-27(3)14-12-22(18(2)23(27)24(21)30)29-26(32)19-8-5-4-6-9-19/h7,10,15,17-19,21-24,30H,4-6,8-9,11-14,16H2,1-3H3,(H,28,31)(H,29,32)/t17-,18+,21?,22-,23+,24-,27-/m0/s1 |
| InChI Key | DUNCGGZMBOSOEA-VZGQOTKXSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CO3)O)C)NC(=O)C4CCCCC4 |
| CAS | |
| Splash | |
| Other Names | NAT5-396804 |