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Pregn-5-ene-3,20-diamine, N3,N20,N20-trimethyl-, (3.beta.,20S)-
SpectraBase Compound ID 7mD0FMbIFmK
InChI InChI=1S/C24H42N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22,25H,8-15H2,1-6H3/t16-,18-,19-,20+,21-,22-,23-,24+/m0/s1
InChIKey ZTDNKQJEIFATQN-MCTVSQGJSA-N
Mol Weight 358.6 g/mol
Molecular Formula C24H42N2
Exact Mass 358.334799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5I55j44EW4
Name Pregn-5-ene-3,20-diamine, N3,N20,N20-trimethyl-, (3.beta.,20S)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.334799360 u
Formula C24H42N2
InChI InChI=1S/C24H42N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22,25H,8-15H2,1-6H3/t16-,18-,19-,20+,21-,22-,23-,24+/m0/s1
InChIKey ZTDNKQJEIFATQN-MCTVSQGJSA-N
Molecular Weight 358.614 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](NC)(C4)[H])C)[H])(CC[C@@]1([C@@](N(C)C)(C)[H])[H])[H])C