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3Alpha,17,21-trihydroxy-5beta-pregnan-20-one, 3-acetate

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3Alpha,17,21-trihydroxy-5beta-pregnan-20-one, 3-acetate
SpectraBase Compound ID FItnxMt9MFK
InChI InChI=1S/C23H36O5/c1-14(25)28-16-6-9-21(2)15(12-16)4-5-17-18(21)7-10-22(3)19(17)8-11-23(22,27)20(26)13-24/h15-19,24,27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,21+,22+,23+/m1/s1
InChIKey AMWUVEPYCFALOA-NAWQHOSSSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYrXsEMdJB4
Name 3Alpha,17,21-trihydroxy-5beta-pregnan-20-one, 3-acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-14(25)28-16-6-9-21(2)15(12-16)4-5-17-18(21)7-10-22(3)19(17)8-11-23(22,27)20(26)13-24/h15-19,24,27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,21+,22+,23+/m1/s1
InChIKey AMWUVEPYCFALOA-NAWQHOSSSA-N
Molecular Weight 392.536 g/mol
SMILES OCC([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@](C[C@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(OC(=O)C)[H])C)[H])C)O)=O