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4-Pregnen-17,20α,21-triol-3,11-dione 20,21-diacetate
SpectraBase Compound ID 156onmQK2aK
InChI InChI=1S/C25H34O7/c1-14(26)31-13-21(32-15(2)27)25(30)10-8-19-18-6-5-16-11-17(28)7-9-23(16,3)22(18)20(29)12-24(19,25)4/h11,18-19,21-22,30H,5-10,12-13H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-/m0/s1
InChIKey DCSFDYNORBQIEW-FHTMVGQHSA-N
Mol Weight 446.5 g/mol
Molecular Formula C25H34O7
Exact Mass 446.230453 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Bt4paBuX0yN
Name 4-Pregnen-17,20a,21-triol-3,11-dione 20,21-diacetate
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 C25H34O7
InChI InChI=1S/C25H34O7/c1-14(26)31-13-21(32-15(2)27)25(30)10-8-19-18-6-5-16-11-17(28)7-9-23(16,3)22(18)20(29)12-24(19,25)4/h11,18-19,21-22,30H,5-10,12-13H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-/m0/s1
InChIKey DCSFDYNORBQIEW-FHTMVGQHSA-N
Literature Reference J. ORG. CHEM. 37, 1224(1972) Abstract-Chemical Abstracts= 76, 154004(1972)
Melting Point 261-264C
Molecular Weight 446.540009
Synonyms PREGN-4-ENE-3,11-DIONE, 17,20A,21- TRIHYDROXY-, 20,21-DIACETATE
Technique KBr WAFER