N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]decahydro-2-naphthalenyl}isonicotinamide

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

ID: Reference13120

Other Names: NAT5-397768

Formula: C25H37N3O3

Spectral Data

N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]decahydro-2-naphthalenyl}isonicotinamide 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 1519
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/26/2024 9:57:54 AM
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Identificators

InChI InChI=1S/C25H37N3O3/c1-16(24(31)28-14-4-5-15-28)19-6-10-25(3)11-7-20(17(2)21(25)22(19)29)27-23(30)18-8-12-26-13-9-18/h8-9,12-13,16-17,19-22,29H,4-7,10-11,14-15H2,1-3H3,(H,27,30)/t16-,17+,19?,20-,21+,22-,25-/m0/s1
InChI Key MZMHVQVAHVMGJI-DALBTHSASA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N3CCCC3)O)C)NC(=O)C4=CC=NC=C4
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Other Names NAT5-397768

In Other Databases

PubChem 45361573
ChemSpider 22806036