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16-BETA-METHYL-17-ALPHA-TOLUOYLOXY-PREGNA-1,4,6-TRIENE-3,20-DIONE
SpectraBase Compound ID 8VCTjiZrJSL
InChI InChI=1S/C30H34O4/c1-18-6-8-21(9-7-18)27(33)34-30(20(3)31)19(2)16-26-24-11-10-22-17-23(32)12-14-28(22,4)25(24)13-15-29(26,30)5/h6-12,14,17,19,24-26H,13,15-16H2,1-5H3/t19-,24+,25-,26-,28-,29-,30-/m0/s1
InChIKey LNCGJTRFLARJCN-CEZULJSVSA-N
Mol Weight 458.6 g/mol
Molecular Formula C30H34O4
Exact Mass 458.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqYFov5xZtb
Name 16-BETA-METHYL-17-ALPHA-TOLUOYLOXY-PREGNA-1,4,6-TRIENE-3,20-DIONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34O4
InChI InChI=1S/C30H34O4/c1-18-6-8-21(9-7-18)27(33)34-30(20(3)31)19(2)16-26-24-11-10-22-17-23(32)12-14-28(22,4)25(24)13-15-29(26,30)5/h6-12,14,17,19,24-26H,13,15-16H2,1-5H3/t19-,24+,25-,26-,28-,29-,30-/m0/s1
InChIKey LNCGJTRFLARJCN-CEZULJSVSA-N
Literature Reference Author E.BRATOEFF,E.RAMIREZ,E.FLORES,N.VALENCIA,M.SANCHEZ,I.HEUZE,M .CABEZA
Literature Reference Citation CHEM.PHARM.BULL.,51,1132(2003)
Literature Reference DOI 10.1248/cpb.51.1132
Molecular Weight 458.598 g/mol
Solvent CDCl3
Source File Reference UWLU20317