Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-[Benzyl(methyl)amino]-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide
ID: Reference11469
Other Names:
Formula: C29H46N2O3
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[Benzyl(methyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-3,3-dimethylbutanamide 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 | 2161 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/15/2022 3:02:50 PM |
InChI | InChI=1S/C29H46N2O3/c1-19(27(34)31(7)18-21-11-9-8-10-12-21)22-13-15-29(6)16-14-23(20(2)25(29)26(22)33)30-24(32)17-28(3,4)5/h8-12,19-20,22-23,25-26,33H,13-18H2,1-7H3,(H,30,32)/t19-,20+,22?,23-,25+,26-,29-/m0/s1 |
InChI Key | ALNWDPVRJSWMPE-YQEMWEPOSA-N |
Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N(C)CC3=CC=CC=C3)O)C)NC(=O)CC(C)(C)C |
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