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5.alpha.-Pregnan-18-ol, 3.beta.,20.alpha.-diamino-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

5.alpha.-Pregnan-18-ol, 3.beta.,20.alpha.-diamino-
SpectraBase Compound ID GPgewmsImCo
InChI InChI=1S/C21H38N2O/c1-13(22)17-5-6-19-16-4-3-14-11-15(23)7-9-20(14,2)18(16)8-10-21(17,19)12-24/h13-19,24H,3-12,22-23H2,1-2H3
InChIKey VBLCWDAVCHSHDP-UHFFFAOYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H38N2O
Exact Mass 334.298414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3JnzbzblQan
Name 5.alpha.-Pregnan-18-ol, 3.beta.,20.alpha.-diamino-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.298413851 u
Formula C21H38N2O
InChI InChI=1S/C21H38N2O/c1-13(22)17-5-6-19-16-4-3-14-11-15(23)7-9-20(14,2)18(16)8-10-21(17,19)12-24/h13-19,24H,3-12,22-23H2,1-2H3
InChIKey VBLCWDAVCHSHDP-UHFFFAOYSA-N
Molecular Weight 334.548 g/mol
SMILES C(O)[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)[C@@](CC3)(C[C@](CC2)(N)[H])[H])[H])[H])(CC[C@@]1([C@](C)(N)[H])[H])[H]