N-{(1S,2S,4aS,7S,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,7S,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]benzamide

ID: Reference10974

Other Names: NAT5-396605

Formula: C27H40N2O3

Spectral Data

N-{(1S,2S,4aS,7S,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 735
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/28/2021 5:11:35 PM
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Identificators

InChI InChI=1S/C27H40N2O3/c1-18(26(32)29-16-8-5-9-17-29)21-12-14-27(3)15-13-22(19(2)23(27)24(21)30)28-25(31)20-10-6-4-7-11-20/h4,6-7,10-11,18-19,21-24,30H,5,8-9,12-17H2,1-3H3,(H,28,31)/t18-,19+,21-,22-,23+,24-,27-/m0/s1
InChI Key XQFVJXYKFNOAAJ-GDQGXXANSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N3CCCCC3)O)C)NC(=O)C4=CC=CC=C4
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Other Names NAT5-396605

In Other Databases

ChemSpider 29857171
PubChem 28962585