(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenylacetyl)amino]decahydro-2-naphthalenyl}-N-(4-methoxybenzyl)propanamide
11948
Reference
(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenylacetyl)amino]decahydro-2-naphthalenyl}-N-(4-methoxybenzyl)propanamide Structure
Systematic / IUPAC Name: (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-[(4-methoxyphenyl)methyl]propanamide
ID: Reference11948
Other Names: NAT5-397324
Formula: C31H42N2O4
Spectral Data
(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenylacetyl)amino]decahydro-2-naphthalenyl}-N-(4-methoxybenzyl)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 | 3424 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/14/2022 2:50:03 PM |
Identificators
| InChI | InChI=1S/C31H42N2O4/c1-20(30(36)32-19-23-10-12-24(37-4)13-11-23)25-14-16-31(3)17-15-26(21(2)28(31)29(25)35)33-27(34)18-22-8-6-5-7-9-22/h5-13,20-21,25-26,28-29,35H,14-19H2,1-4H3,(H,32,36)(H,33,34)/t20-,21+,25?,26-,28+,29-,31-/m0/s1 |
| InChI Key | RZFXLTWHAWFPGY-QSDABOETSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=C(C=C3)OC)O)C)NC(=O)CC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT5-397324 |