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3Alpha-hydroxy-5beta-pregnan-21-oic acid, methyl ester, acetate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

3Alpha-hydroxy-5beta-pregnan-21-oic acid, methyl ester, acetate
SpectraBase Compound ID 4oTbAZcUlom
InChI InChI=1S/C24H38O4/c1-15(25)28-18-9-11-23(2)16(13-18)5-7-19-20-8-6-17(14-22(26)27-4)24(20,3)12-10-21(19)23/h16-21H,5-14H2,1-4H3/t16-,17-,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey MOMHWVMPEBQTAF-JRXFWGSLSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfriYK73OWW
Name 3Alpha-hydroxy-5beta-pregnan-21-oic acid, methyl ester, acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-15(25)28-18-9-11-23(2)16(13-18)5-7-19-20-8-6-17(14-22(26)27-4)24(20,3)12-10-21(19)23/h16-21H,5-14H2,1-4H3/t16-,17-,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey MOMHWVMPEBQTAF-JRXFWGSLSA-N
Molecular Weight 390.564 g/mol
SMILES CC(O[C@]1(C[C@@]2([C@](CC1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)(CC(=O)OC)[H])C)[H])[H])[H])C)[H])[H])=O