6-Hydroxy-1-(hydroxymethyl)-5-{2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalenyl [3-(trifluoromethyl)phenyl]carbamate

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Systematic / IUPAC Name: [6-Hydroxy-1-(hydroxymethyl)-5-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] N-[3-(trifluoromethyl)phenyl]carbamate

ID: Reference8786

Other Names: Carbamic acid, N-[3-(trifluoromethyl)phenyl]-, decahydro-6-hydroxy-1-(hydroxymethyl)-5-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-1,4a-dimethyl-2-naphthalenyl ester;
NAT8-282883

Formula: C28H39F3N2O6

Spectral Data

6-Hydroxy-1-(hydroxymethyl)-5-{2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalenyl [3-(trifluoromethyl)phenyl]carbamate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 2713
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 7/23/2019 8:24:51 AM
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Identificators

InChI InChI=1S/C28H39F3N2O6/c1-26-11-10-23(39-25(38)32-18-6-3-5-17(13-18)28(29,30)31)27(2,16-35)22(26)9-8-21(36)20(26)14-24(37)33-12-4-7-19(33)15-34/h3,5-6,13,19-23,34-36H,4,7-12,14-16H2,1-2H3,(H,32,38)
InChI Key MWSJSUZPMVLSKC-UHFFFAOYSA-N
Canonical SMILES CC12CCC(C(C1CCC(C2CC(=O)N3CCCC3CO)O)(C)CO)OC(=O)NC4=CC=CC(=C4)C(F)(F)F
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Other Names Carbamic acid, N-[3-(trifluoromethyl)phenyl]-, decahydro-6-hydroxy-1-(hydroxymethyl)-5-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-1,4a-dimethyl-2-naphthalenyl ester;
NAT8-282883

In Other Databases

PubChem 3715008
ChemSpider 2946194