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2-((10S,13S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-4H-oxazol-5-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-((10S,13S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-4H-oxazol-5-one
SpectraBase Compound ID E1aaVVn7flU
InChI InChI=1S/C22H31NO2/c1-21-11-4-3-5-14(21)6-7-15-16-8-9-18(20-23-13-19(24)25-20)22(16,2)12-10-17(15)21/h9,14-17H,3-8,10-13H2,1-2H3/t14?,15?,16?,17?,21-,22-/m0/s1
InChIKey ZXIGRKBQWRYVFU-IKTNNHBWSA-N
Mol Weight 341.5 g/mol
Molecular Formula C22H31NO2
Exact Mass 341.235479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3lmkfciRFB
Name 2-((10S,13S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[A]phenanthren-17-yl)-4H-oxazol-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.235479240 u
Formula C22H31NO2
InChI InChI=1S/C22H31NO2/c1-21-11-4-3-5-14(21)6-7-15-16-8-9-18(20-23-13-19(24)25-20)22(16,2)12-10-17(15)21/h9,14-17H,3-8,10-13H2,1-2H3/t14?,15?,16?,17?,21-,22-/m0/s1
InChIKey ZXIGRKBQWRYVFU-IKTNNHBWSA-N
Molecular Weight 341.495 g/mol
SMILES [C@]12(C(C=3OC(=O)CN3)=CCC1C1CCC3[C@](C1CC2)(C)CCCC3)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949161