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

View entire compound with spectra: 1 NMR, and 2 FTIR

21-Hydroxypregn-4-ene-3,11,20-trione, methyl carbonate
SpectraBase Compound ID Kwm1nFVsH38
InChI InChI=1S/C23H30O6/c1-22-9-8-14(24)10-13(22)4-5-15-16-6-7-17(19(26)12-29-21(27)28-3)23(16,2)11-18(25)20(15)22/h10,15-17,20H,4-9,11-12H2,1-3H3/t15-,16-,17+,20+,22-,23-/m0/s1
InChIKey VRSAZXLNGAASLS-JSBHZECNSA-N
Mol Weight 402.49 g/mol
Molecular Formula C23H30O6
Exact Mass 402.204239 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KezrknbBxZr
Name 21-Hydroxypregn-4-ene-3,11,20-trione, methyl 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 C23H30O6
InChI InChI=1S/C23H30O6/c1-22-9-8-14(24)10-13(22)4-5-15-16-6-7-17(19(26)12-29-21(27)28-3)23(16,2)11-18(25)20(15)22/h10,15-17,20H,4-9,11-12H2,1-3H3/t15-,16-,17+,20+,22-,23-/m0/s1
InChIKey VRSAZXLNGAASLS-JSBHZECNSA-N
Melting Point 149-151C
Molecular Weight 402.487000
Synonyms PREGN-4-ENE-3,11,20-TRIONE, 21-HYDROXY-, METHYL CARBONATE
Technique KBr WAFER