N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-thienylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-4-methoxybenzamide
11797
Reference
N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-thienylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-4-methoxybenzamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide
ID: Reference11797
Other Names: NAT5-396570
Formula: C28H38N2O4S
Spectral Data
N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-thienylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-4-methoxybenzamide 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 | 3053 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/30/2022 7:49:47 AM |
Identificators
| InChI | InChI=1S/C28H38N2O4S/c1-17(26(32)29-16-21-6-5-15-35-21)22-11-13-28(3)14-12-23(18(2)24(28)25(22)31)30-27(33)19-7-9-20(34-4)10-8-19/h5-10,15,17-18,22-25,31H,11-14,16H2,1-4H3,(H,29,32)(H,30,33)/t17-,18+,22?,23-,24+,25-,28-/m0/s1 |
| InChI Key | OKVYVQHCLCSBBT-SRKORWEXSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CS3)O)C)NC(=O)C4=CC=C(C=C4)OC |
| CAS | |
| Splash | |
| Other Names | NAT5-396570 |