4-Cyano-N-{(1S,2S,8S,8aS)-7-[(2S)-1-(diethylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}benzamide

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Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-(Diethylamino)-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-cyanobenzamide

ID: Reference12127

Other Names: NAT5-396759

Formula: C27H39N3O3

Spectral Data

4-Cyano-N-{(1S,2S,8S,8aS)-7-[(2S)-1-(diethylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}benzamide 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 2020
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/13/2023 8:47:31 AM
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Identificators

InChI InChI=1S/C27H39N3O3/c1-6-30(7-2)26(33)17(3)21-12-14-27(5)15-13-22(18(4)23(27)24(21)31)29-25(32)20-10-8-19(16-28)9-11-20/h8-11,17-18,21-24,31H,6-7,12-15H2,1-5H3,(H,29,32)/t17-,18+,21?,22-,23+,24-,27-/m0/s1
InChI Key PNBBJBKFHLQMMA-VZGQOTKXSA-N
Canonical SMILES CCN(CC)C(=O)C(C)C1CCC2(CCC(C(C2C1O)C)NC(=O)C3=CC=C(C=C3)C#N)C
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Other Names NAT5-396759

In Other Databases

PubChem 45361435
ChemSpider 22805891