3-Fluoro-N-{(1S,2S,4aS,7S,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-pyrrolidinyl)-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-pyrrolidin-1-ylpropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3-fluorobenzamide

ID: Reference9642

Other Names: Benzamide, N-[(1S,2S,4aS,7S,8S,8aS)-decahydro-8-hydroxy-1,4a-dimethyl-7-[(1S)-1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]-2-naphthalenyl]-3-fluoro-;
NAT5-396994

Formula: C26H37FN2O3

Spectral Data

3-Fluoro-N-{(1S,2S,4aS,7S,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-pyrrolidinyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 3053
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/29/2020 12:09:38 PM
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Identificators

InChI InChI=1S/C26H37FN2O3/c1-16(25(32)29-13-4-5-14-29)20-9-11-26(3)12-10-21(17(2)22(26)23(20)30)28-24(31)18-7-6-8-19(27)15-18/h6-8,15-17,20-23,30H,4-5,9-14H2,1-3H3,(H,28,31)/t16-,17+,20-,21-,22+,23-,26-/m0/s1
InChI Key BJTTWKROHZIMGX-CHYNBCOXSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N3CCCC3)O)C)NC(=O)C4=CC(=CC=C4)F
CAS
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Other Names Benzamide, N-[(1S,2S,4aS,7S,8S,8aS)-decahydro-8-hydroxy-1,4a-dimethyl-7-[(1S)-1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]-2-naphthalenyl]-3-fluoro-;
NAT5-396994

In Other Databases

ChemSpider 29857196
PubChem 28962821