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3.beta.-Tert-butoxy-5.alpha.-androstan-17-one
SpectraBase Compound ID C4PlLXE86C2
InChI InChI=1S/C23H38O2/c1-21(2,3)25-16-10-12-22(4)15(14-16)6-7-17-18-8-9-20(24)23(18,5)13-11-19(17)22/h15-19H,6-14H2,1-5H3/t15-,16-,17-,18-,19-,22-,23-/m0/s1
InChIKey YUQRKSFLRITHTG-BOPJXXHASA-N
Mol Weight 346.6 g/mol
Molecular Formula C23H38O2
Exact Mass 346.28718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lt4CGpcL6B
Name 3.beta.-Tert-butoxy-5.alpha.-androstan-17-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.287180462 u
Formula C23H38O2
InChI InChI=1S/C23H38O2/c1-21(2,3)25-16-10-12-22(4)15(14-16)6-7-17-18-8-9-20(24)23(18,5)13-11-19(17)22/h15-19H,6-14H2,1-5H3/t15-,16-,17-,18-,19-,22-,23-/m0/s1
InChIKey YUQRKSFLRITHTG-BOPJXXHASA-N
Molecular Weight 346.555 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])([H])CC[C@]2(C[C@@](OC(C)(C)C)(CC1)[H])[H])[H])C