3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-trimethyl-3-[(1-methyl-4-piperidinyl)amino]octahydro-3aH-inden-3a-yl}-1-(1-pyrrolidinyl)-1-propanone
11672
Reference
3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-trimethyl-3-[(1-methyl-4-piperidinyl)amino]octahydro-3aH-inden-3a-yl}-1-(1-pyrrolidinyl)-1-propanone Structure
Systematic / IUPAC Name: 3-[(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-trimethyl-3-[(1-methylpiperidin-4-yl)amino]-2,3,4,5,7,7a-hexahydroinden-3a-yl]-1-pyrrolidin-1-ylpropan-1-one
ID: Reference11672
Other Names: NAT24-392362
Formula: C25H45N3O2
Spectral Data
3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-trimethyl-3-[(1-methyl-4-piperidinyl)amino]octahydro-3aH-inden-3a-yl}-1-(1-pyrrolidinyl)-1-propanone 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 | 1750 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/19/2022 7:29:39 AM |
Identificators
| InChI | InChI=1S/C25H45N3O2/c1-23(2)18-21(26-19-8-15-27(4)16-9-19)25(12-11-24(3,30)17-20(23)25)10-7-22(29)28-13-5-6-14-28/h19-21,26,30H,5-18H2,1-4H3/t20-,21-,24-,25-/m0/s1 |
| InChI Key | PLKNVLWUORWSNS-NBMBROAQSA-N |
| Canonical SMILES | CC1(CC(C2(C1CC(CC2)(C)O)CCC(=O)N3CCCC3)NC4CCN(CC4)C)C |
| CAS | |
| Splash | |
| Other Names | NAT24-392362 |