Systematic / IUPAC Name: [(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] N-cyclohexylcarbamate
ID: Reference13108
Other Names: NAT8-282769
Formula: C27H42N2O5S
(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}decahydro-2-naphthalenyl cyclohexylcarbamate 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 | 3150 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 4/19/2024 3:01:49 PM |
InChI | InChI=1S/C27H42N2O5S/c1-26-13-12-23(34-25(33)29-18-7-4-3-5-8-18)27(2,17-30)22(26)11-10-21(31)20(26)15-24(32)28-16-19-9-6-14-35-19/h6,9,14,18,20-23,30-31H,3-5,7-8,10-13,15-17H2,1-2H3,(H,28,32)(H,29,33)/t20-,21-,22?,23-,26+,27+/m1/s1 |
InChI Key | BXHQRMAQRKNEHW-RIUWZUAQSA-N |
Canonical SMILES | CC12CCC(C(C1CCC(C2CC(=O)NCC3=CC=CS3)O)(C)CO)OC(=O)NC4CCCCC4 |
CAS | |
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Other Names | NAT8-282769 |
ChEMBL | CHEMBL4952916 |
PubChem | 24121228 |
ChemSpider | 21388758 |