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(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methyl-4-morpholino-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-morpholino-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 1BtVIcjQah9
InChI InChI=1S/C28H49NO2/c1-20(5-4-14-29-15-17-31-18-16-29)24-8-9-25-23-7-6-21-19-22(30)10-12-27(21,2)26(23)11-13-28(24,25)3/h20-26,30H,4-19H2,1-3H3/t20-,21-,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey YVMYFPZGSASPIC-IOIYRQMXSA-N
Mol Weight 431.7 g/mol
Molecular Formula C28H49NO2
Exact Mass 431.37633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQRr7z1cTc
Name (3R,5R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(1R)-1-methyl-4-morpholino-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 431.376329820 u
Formula C28H49NO2
InChI InChI=1S/C28H49NO2/c1-20(5-4-14-29-15-17-31-18-16-29)24-8-9-25-23-7-6-21-19-22(30)10-12-27(21,2)26(23)11-13-28(24,25)3/h20-26,30H,4-19H2,1-3H3/t20-,21-,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey YVMYFPZGSASPIC-IOIYRQMXSA-N
Molecular Weight 431.705 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@@](CCCN1CCOCC1)(C)[H])[H])[H])C