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20-BETA,21-DIACETYLPREGNA-4,6-DIEN-3-ONE
SpectraBase Compound ID AvfQNhs5OQj
InChI InChI=1S/C25H34O5/c1-15(26)29-14-23(30-16(2)27)22-8-7-20-19-6-5-17-13-18(28)9-11-24(17,3)21(19)10-12-25(20,22)4/h5-6,13,19-23H,7-12,14H2,1-4H3/t19?,20?,21?,22-,23-,24+,25+/m1/s1
InChIKey WSJJADQCPKDBNL-OUMOHFHBSA-N
Mol Weight 414.5 g/mol
Molecular Formula C25H34O5
Exact Mass 414.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jq7ziPO35VW
Name 20-BETA,21-DIACETYLPREGNA-4,6-DIEN-3-ONE
Compound Number 19 A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O5
InChI InChI=1S/C25H34O5/c1-15(26)29-14-23(30-16(2)27)22-8-7-20-19-6-5-17-13-18(28)9-11-24(17,3)21(19)10-12-25(20,22)4/h5-6,13,19-23H,7-12,14H2,1-4H3/t19?,20?,21?,22-,23-,24+,25+/m1/s1
InChIKey WSJJADQCPKDBNL-OUMOHFHBSA-N
Literature Reference Author M.C.ROY,F.R.CHANG,H.C.HUANG,M.Y.N.CHIANG,Y.C.WU
Literature Reference Citation J.NAT.PROD.,68,1494(2005)
Literature Reference DOI 10.1021/np0501740
Molecular Weight 414.542 g/mol
Solvent CDCl3
Source File Reference UWMZ13212