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PREGNA-4,8(9)-DIEN-3,20-DIONE

View entire compound with spectra: 1 NMR

PREGNA-4,8(9)-DIEN-3,20-DIONE
SpectraBase Compound ID ErcU138KQxF
InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,17-18H,4-11H2,1-3H3/t17-,18+,20+,21-/m1/s1
InChIKey OQRWANLYMLMMNO-YXYSEUPNSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JuFOn6FmsKI
Name PREGNA-4,8(9)-DIEN-3,20-DIONE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,17-18H,4-11H2,1-3H3/t17-,18+,20+,21-/m1/s1
InChIKey OQRWANLYMLMMNO-YXYSEUPNSA-N
Literature Reference Author H.L.HOLLAND,E.RIEMLAND
Literature Reference Citation CAN.J.CHEM.,63,1121(1985)
Literature Reference DOI 10.1139/v85-190
Molecular Weight 312.452 g/mol
Solvent CDCl3
Source File Reference UWED5772