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21-Hydroxypregn-4-ene-3,11,20-trione, phenyl carbonate

View entire compound with spectra: 1 FTIR

21-Hydroxypregn-4-ene-3,11,20-trione, phenyl carbonate
SpectraBase Compound ID 1A0fWUItuy6
InChI InChI=1S/C28H32O6/c1-27-13-12-18(29)14-17(27)8-9-20-21-10-11-22(28(21,2)15-23(30)25(20)27)24(31)16-33-26(32)34-19-6-4-3-5-7-19/h3-7,14,20-22,25H,8-13,15-16H2,1-2H3/t20-,21-,22+,25+,27-,28-/m0/s1
InChIKey YMBRGZLQIKJVNQ-WWKVSEOQSA-N
Mol Weight 464.6 g/mol
Molecular Formula C28H32O6
Exact Mass 464.219889 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Etx0SR6CytQ
Name 21-Hydroxypregn-4-ene-3,11,20-trione, phenyl carbonate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O6
InChI InChI=1S/C28H32O6/c1-27-13-12-18(29)14-17(27)8-9-20-21-10-11-22(28(21,2)15-23(30)25(20)27)24(31)16-33-26(32)34-19-6-4-3-5-7-19/h3-7,14,20-22,25H,8-13,15-16H2,1-2H3/t20-,21-,22+,25+,27-,28-/m0/s1
InChIKey YMBRGZLQIKJVNQ-WWKVSEOQSA-N
Melting Point 129-131C
Molecular Weight 464.558014
Synonyms PREGN-4-ENE-3,11,20-TRIONE, 21-HYDROXY-, PHENYL CARBONATE
Technique FILM (CAST FROM CHCl3)