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3-OXO-1(2),9(10)-ARISTOLADIEN-13-OIC-ACID-(PARA-BROMOPHENACYL)-ESTER
SpectraBase Compound ID 2M3OQzef48B
InChI InChI=1S/C23H23BrO4/c1-13-18(25)11-7-15-6-10-17-20(22(13,15)2)23(17,3)21(27)28-12-19(26)14-4-8-16(24)9-5-14/h4-9,11,13,17,20H,10,12H2,1-3H3/t13-,17-,20-,22+,23+/m1/s1
InChIKey PRERMFVQNIYLBB-NCEGDZEGSA-N
Mol Weight 443.34 g/mol
Molecular Formula C23H23BrO4
Exact Mass 442.077972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5m1Bf2R5OXR
Name 3-OXO-1(2),9(10)-ARISTOLADIEN-13-OIC-ACID-(PARA-BROMOPHENACYL)-ESTER
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23BrO4
InChI InChI=1S/C23H23BrO4/c1-13-18(25)11-7-15-6-10-17-20(22(13,15)2)23(17,3)21(27)28-12-19(26)14-4-8-16(24)9-5-14/h4-9,11,13,17,20H,10,12H2,1-3H3/t13-,17-,20-,22+,23+/m1/s1
InChIKey PRERMFVQNIYLBB-NCEGDZEGSA-N
Literature Reference Author M.FURUSAWA,T.HASHIMOTO,Y.NOMA,Y.ASAKAWA
Literature Reference Citation CHEM.PHARM.BULL.,54,861(2006)
Literature Reference DOI 10.1248/cpb.54.861
Molecular Weight 443.337 g/mol
Sample ID 37159
Solvent CDCl3