Systematic / IUPAC Name: [(1R,2R,4aR,5S,6R)-5-[2-[(3S)-3-Acetamidopyrrolidin-1-yl]-2-oxoethyl]-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] N-propylcarbamate
ID: Reference11863
Other Names: NAT8-282848
Formula: C25H43N3O6
(1R,2R,4aR,5S,6R)-5-{2-[(3S)-3-Acetamido-1-pyrrolidinyl]-2-oxoethyl}-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyldecahydro-2-naphthalenyl propylcarbamate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 3098 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 10/17/2022 8:56:17 AM |
InChI | InChI=1S/C25H43N3O6/c1-5-11-26-23(33)34-21-8-10-24(3)18(19(31)6-7-20(24)25(21,4)15-29)13-22(32)28-12-9-17(14-28)27-16(2)30/h17-21,29,31H,5-15H2,1-4H3,(H,26,33)(H,27,30)/t17-,18+,19+,20?,21+,24-,25-/m0/s1 |
InChI Key | XBUOPSRCSMOVAD-DZQAJZFKSA-N |
Canonical SMILES | CCCNC(=O)OC1CCC2(C(C1(C)CO)CCC(C2CC(=O)N3CCC(C3)NC(=O)C)O)C |
CAS | |
Splash | |
Other Names | NAT8-282848 |