N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-2-propanyl]decahydro-2-naphthalenyl}-4-methoxybenzamide
12115
Reference
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-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-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide
ID: Reference12115
Other Names: NAT5-396534
Formula: C29H45N3O5
Spectral Data
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-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 | 2886 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/12/2023 9:29:06 AM |
Identificators
| InChI | InChI=1S/C29H45N3O5/c1-19(27(34)30-13-14-32-15-17-37-18-16-32)23-9-11-29(3)12-10-24(20(2)25(29)26(23)33)31-28(35)21-5-7-22(36-4)8-6-21/h5-8,19-20,23-26,33H,9-18H2,1-4H3,(H,30,34)(H,31,35)/t19-,20+,23?,24-,25+,26-,29-/m0/s1 |
| InChI Key | OQFXPVHEPAYUFY-WQAKFSQTSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCCN3CCOCC3)O)C)NC(=O)C4=CC=C(C=C4)OC |
| CAS | |
| Splash | |
| Other Names | NAT5-396534 |