Systematic / IUPAC Name: (2S)-2-[(1S,4aS,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(2-phenylacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
ID: Reference12139
Other Names: NAT5-397319
Formula: C30H39FN2O3
(2S)-N-(4-Fluorobenzyl)-2-{(1S,7S,8S,8aS)-1-hydroxy-4a,8-dimethyl-7-[(phenylacetyl)amino]decahydro-2-naphthalenyl}propanamide 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 | 2960 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 1/16/2023 1:52:36 PM |
InChI | InChI=1S/C30H39FN2O3/c1-19(29(36)32-18-22-9-11-23(31)12-10-22)24-13-15-30(3)16-14-25(20(2)27(30)28(24)35)33-26(34)17-21-7-5-4-6-8-21/h4-12,19-20,24-25,27-28,35H,13-18H2,1-3H3,(H,32,36)(H,33,34)/t19-,20+,24?,25-,27+,28-,30-/m0/s1 |
InChI Key | APMWSQYKPBFBJW-WTHNKCJXSA-N |
Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=C(C=C3)F)O)C)NC(=O)CC4=CC=CC=C4 |
CAS | |
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Other Names | NAT5-397319 |