N-[(1S,2S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(4-methoxybenzyl)amino]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]benzamide
11437
Reference
N-[(1S,2S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(4-methoxybenzyl)amino]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]benzamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-8-Hydroxy-7-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]benzamide
ID: Reference11437
Other Names: NAT5-396593
Formula: C30H40N2O4
Spectral Data
N-[(1S,2S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(4-methoxybenzyl)amino]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]benzamide 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 | 3055 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/31/2022 1:26:57 PM |
Identificators
| InChI | InChI=1S/C30H40N2O4/c1-19(28(34)31-18-21-10-12-23(36-4)13-11-21)24-14-16-30(3)17-15-25(20(2)26(30)27(24)33)32-29(35)22-8-6-5-7-9-22/h5-13,19-20,24-27,33H,14-18H2,1-4H3,(H,31,34)(H,32,35)/t19-,20+,24?,25-,26+,27-,30-/m0/s1 |
| InChI Key | QFRVMIFFUXYTPB-SUVLORIJSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=C(C=C3)OC)O)C)NC(=O)C4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT5-396593 |