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

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

ID: Reference11462

Other Names: NAT5-396777

Formula: C28H39N3O3

Spectral Data

4-Cyano-N-{(1S,2S,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-piperidinyl)-2-propanyl]decahydro-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 1920
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/15/2022 2:12:29 PM
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Identificators

InChI InChI=1S/C28H39N3O3/c1-18(27(34)31-15-5-4-6-16-31)22-11-13-28(3)14-12-23(19(2)24(28)25(22)32)30-26(33)21-9-7-20(17-29)8-10-21/h7-10,18-19,22-25,32H,4-6,11-16H2,1-3H3,(H,30,33)/t18-,19+,22?,23-,24+,25-,28-/m0/s1
InChI Key PXRZXVQAEUXJHG-LIXWPVDFSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N3CCCCC3)O)C)NC(=O)C4=CC=C(C=C4)C#N
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Other Names NAT5-396777

In Other Databases

PubChem 45361444
ChemSpider 22805900