4-Cyano-N-[(1S,2S,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-{(2S)-1-[(2-methyl-2-propanyl)amino]-1-oxo-2-propanyl}decahydro-2-naphthalenyl]benzamide
11945
Reference
4-Cyano-N-[(1S,2S,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-{(2S)-1-[(2-methyl-2-propanyl)amino]-1-oxo-2-propanyl}decahydro-2-naphthalenyl]benzamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-(tert-Butylamino)-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-cyanobenzamide
ID: Reference11945
Other Names: NAT5-396754
Formula: C27H39N3O3
Spectral Data
4-Cyano-N-[(1S,2S,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-{(2S)-1-[(2-methyl-2-propanyl)amino]-1-oxo-2-propanyl}decahydro-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 | 3424 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/14/2022 1:07:58 PM |
Identificators
| InChI | InChI=1S/C27H39N3O3/c1-16(24(32)30-26(3,4)5)20-11-13-27(6)14-12-21(17(2)22(27)23(20)31)29-25(33)19-9-7-18(15-28)8-10-19/h7-10,16-17,20-23,31H,11-14H2,1-6H3,(H,29,33)(H,30,32)/t16-,17+,20?,21-,22+,23-,27-/m0/s1 |
| InChI Key | MMKAXNSSQNZMQY-QVFWVUEUSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NC(C)(C)C)O)C)NC(=O)C3=CC=C(C=C3)C#N |
| CAS | |
| Splash | |
| Other Names | NAT5-396754 |