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5Beta-pregnane-3alpha,17,20BETA,21-tetrol, 21-acetate

View entire compound with spectra: 2 NMR, and 2 FTIR

5Beta-pregnane-3alpha,17,20BETA,21-tetrol, 21-acetate
SpectraBase Compound ID BiHIv1eEysK
InChI InChI=1S/C23H38O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h15-20,25-27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,20-,21+,22+,23+/m1/s1
InChIKey BOHOBIJWBNSASS-YOZVSQQVSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H38O5
Exact Mass 394.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6t0zCiNPd8I
Name 5Beta-pregnane-3alpha,17,20BETA,21-tetrol, 21-acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.271924319 u
Formula C23H38O5
InChI InChI=1S/C23H38O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h15-20,25-27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,20-,21+,22+,23+/m1/s1
InChIKey BOHOBIJWBNSASS-YOZVSQQVSA-N
Molecular Weight 394.552 g/mol
SMILES O[C@]1(C[C@]2(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)([C@@](COC(C)=O)(O)[H])O)[H])[H])[H])[H]