N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}cyclopropanecarboxamide
11487
Reference
N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}cyclopropanecarboxamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-(Cyclohexylamino)-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]cyclopropanecarboxamide
ID: Reference11487
Other Names: NAT5-396842
Formula: C25H42N2O3
Spectral Data
N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}cyclopropanecarboxamide 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 | 2448 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/23/2022 7:54:54 AM |
Identificators
| InChI | InChI=1S/C25H42N2O3/c1-15(23(29)26-18-7-5-4-6-8-18)19-11-13-25(3)14-12-20(16(2)21(25)22(19)28)27-24(30)17-9-10-17/h15-22,28H,4-14H2,1-3H3,(H,26,29)(H,27,30)/t15-,16+,19?,20-,21+,22-,25-/m0/s1 |
| InChI Key | LPVCKWQJRJWUKF-ZTICUPJXSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NC3CCCCC3)O)C)NC(=O)C4CC4 |
| CAS | |
| Splash | |
| Other Names | NAT5-396842 |