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

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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]-2-phenoxyacetamide

ID: Reference11929

Other Names: NAT5-397381

Formula: C27H40N2O4

Spectral Data

N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-pyrrolidinyl)-2-propanyl]decahydro-2-naphthalenyl}-2-phenoxyacetamide 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 1584
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/7/2022 12:45:53 PM
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Identificators

InChI InChI=1S/C27H40N2O4/c1-18(26(32)29-15-7-8-16-29)21-11-13-27(3)14-12-22(19(2)24(27)25(21)31)28-23(30)17-33-20-9-5-4-6-10-20/h4-6,9-10,18-19,21-22,24-25,31H,7-8,11-17H2,1-3H3,(H,28,30)/t18-,19+,21?,22-,24+,25-,27-/m0/s1
InChI Key ZKYAONUDHXYWAA-BIZUEZMZSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N3CCCC3)O)C)NC(=O)COC4=CC=CC=C4
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Other Names NAT5-397381

In Other Databases

PubChem 45361537
ChemSpider 22805998