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(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methyl-4-(1-piperidyl)butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

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

(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methyl-4-(1-piperidyl)butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID FRKMonqC0dG
InChI InChI=1S/C29H51NO/c1-21(8-7-19-30-17-5-4-6-18-30)25-11-12-26-24-10-9-22-20-23(31)13-15-28(22,2)27(24)14-16-29(25,26)3/h21-27,31H,4-20H2,1-3H3/t21-,22-,23-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey MRIWVICJKBPGQC-OWDZWQNUSA-N
Mol Weight 429.7 g/mol
Molecular Formula C29H51NO
Exact Mass 429.397065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdOvGdA0o0w
Name (3R,5R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(1R)-1-methyl-4-(1-piperidyl)butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthren-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.397065265 u
Formula C29H51NO
InChI InChI=1S/C29H51NO/c1-21(8-7-19-30-17-5-4-6-18-30)25-11-12-26-24-10-9-22-20-23(31)13-15-28(22,2)27(24)14-16-29(25,26)3/h21-27,31H,4-20H2,1-3H3/t21-,22-,23-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey MRIWVICJKBPGQC-OWDZWQNUSA-N
Molecular Weight 429.733 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](O)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCCN1CCCCC1)(C)[H])[H])[H])C