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1-((3S,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17-aza-cyclopenta[a]phenanthren-17-yl)-3,3-dimethyl-butan-1-one

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

1-((3S,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17-aza-cyclopenta[a]phenanthren-17-yl)-3,3-dimethyl-butan-1-one
SpectraBase Compound ID 8lxno71XO1H
InChI InChI=1S/C24H39NO2/c1-22(2,3)15-21(27)25-13-10-20-18-7-6-16-14-17(26)8-11-23(16,4)19(18)9-12-24(20,25)5/h6,17-20,26H,7-15H2,1-5H3/t17-,18+,19-,20-,23-,24-/m0/s1
InChIKey BEEMNRQEICZGFF-MMJASOHGSA-N
Mol Weight 373.6 g/mol
Molecular Formula C24H39NO2
Exact Mass 373.298079 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2n44iYC426r
Name 1-((3S,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17-aza-cyclopenta[A]phenanthren-17-yl)-3,3-dimethyl-butan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.298079498 u
Formula C24H39NO2
InChI InChI=1S/C24H39NO2/c1-22(2,3)15-21(27)25-13-10-20-18-7-6-16-14-17(26)8-11-23(16,4)19(18)9-12-24(20,25)5/h6,17-20,26H,7-15H2,1-5H3/t17-,18+,19-,20-,23-,24-/m0/s1
InChIKey BEEMNRQEICZGFF-MMJASOHGSA-N
Molecular Weight 373.581 g/mol
SMILES [C@@]12(N(CC[C@]2([C@@]2(CC=C3[C@@]([C@]2(CC1)[H])(CC[C@](O)(C3)[H])C)[H])[H])C(CC(C)(C)C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863496