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Cortisone acetate

View entire compound with spectra: 5 NMR, 6 FTIR, 1 Raman, and 2 MS (GC)

Cortisone acetate
SpectraBase Compound ID 3RtbaPeSFhG
InChI InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
InChIKey ITRJWOMZKQRYTA-RFZYENFJSA-N
Mol Weight 402.49 g/mol
Molecular Formula C23H30O6
Exact Mass 402.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IpYimUlIpE1
Name Cortisone 21-acetate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 285447
CAS Registry Number 50-04-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O6
InChI InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
InChIKey ITRJWOMZKQRYTA-RFZYENFJSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 17a,21-Dihydroxy-4-pregnene-3,11,20-trione21-acetate,21-Acetoxy-4-pregnen-17a-ol-3,11,20-trione,4-Pregnene-17a,21-diol-3,11,20-trione 21-acetate
Wiley ID SIAL_13CNMR_005374