(2S)-2-[(1S,4aS,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(2-phenylacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
(2S)-2-[(1S,4aS,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(2-phenylacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide Structure
Systematic / IUPAC Name: (2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenylacetyl)amino]decahydro-2-naphthalenyl}-N-(2-methoxybenzyl)propanamide
ID: Reference13341
Other Names:
2-Naphthaleneacetamide, decahydro-1-hydroxy-N-[(2-methoxyphenyl)methyl]-α,4a,8-trimethyl-7-[(2-phenylacetyl)amino]-, (alphas,1S,7S,8S,8aS)-;
NAT5-397325
Formula: C31H42N2O4
Spectral Data
(2S)-2-[(1S,4aS,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(2-phenylacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide 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 | 2960 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/7/2025 12:23:30 PM |
Identificators
| InChI | InChI=1S/C31H42N2O4/c1-20(30(36)32-19-23-12-8-9-13-26(23)37-4)24-14-16-31(3)17-15-25(21(2)28(31)29(24)35)33-27(34)18-22-10-6-5-7-11-22/h5-13,20-21,24-25,28-29,35H,14-19H2,1-4H3,(H,32,36)(H,33,34)/t20-,21+,24?,25-,28+,29-,31-/m0/s1 |
| InChI Key | JBYQJSGGGIPCKF-HUEKPXEBSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CC=C3OC)O)C)NC(=O)CC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names |
2-Naphthaleneacetamide, decahydro-1-hydroxy-N-[(2-methoxyphenyl)methyl]-α,4a,8-trimethyl-7-[(2-phenylacetyl)amino]-, (alphas,1S,7S,8S,8aS)-; NAT5-397325 |