(2S)-2-[(1S,4aS,7S,8S,8aS)-7-[(3-Fluorophenyl)carbamoylamino]-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-(furan-2-ylmethyl)propanamide

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Systematic / IUPAC Name:

ID: Reference13350

Other Names: NAT5-398352

Formula: C27H36FN3O4

Spectral Data

(2S)-2-[(1S,4aS,7S,8S,8aS)-7-[(3-Fluorophenyl)carbamoylamino]-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-(furan-2-ylmethyl)propanamide 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
No. of Spectral Trees 1
No. of Spectra 3205
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/28/2025 3:10:48 PM
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Identificators

InChI InChI=1S/C27H36FN3O4/c1-16(25(33)29-15-20-8-5-13-35-20)21-9-11-27(3)12-10-22(17(2)23(27)24(21)32)31-26(34)30-19-7-4-6-18(28)14-19/h4-8,13-14,16-17,21-24,32H,9-12,15H2,1-3H3,(H,29,33)(H2,30,31,34)/t16-,17+,21?,22-,23+,24-,27-/m0/s1
InChI Key ICZMWROTBALGCY-GQEAFVQQSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CO3)O)C)NC(=O)NC4=CC(=CC=C4)F
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Other Names NAT5-398352

In Other Databases

PubChem 45361661