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PREGNINE
SpectraBase Compound ID BviIAUjYdFy
InChI InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m0/s1
InChIKey CHNXZKVNWQUJIB-WSBLSWJJSA-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 D5IyYXFl0DQ
Name PREGNINE
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Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m0/s1
InChIKey CHNXZKVNWQUJIB-WSBLSWJJSA-N
Instrument Name Bruker WH-90
Literature Reference V.S.KARTASHOV, S.V.SHORSHNEV, A.P.ARZAMASTSEV (1992) Khim.Farm.Zhurn.(Russ.Lang.): v.26, N7, 95-98.
NMR Standard CDCL3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/CD4O