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SCUTEBARBATINE-Z;6-ALPHA-NICOTINOYLOXY-7-BETA-HYDROXY-3,13-NEO-CLERODADIEN-15,16-OLIDE

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SCUTEBARBATINE-Z;6-ALPHA-NICOTINOYLOXY-7-BETA-HYDROXY-3,13-NEO-CLERODADIEN-15,16-OLIDE
SpectraBase Compound ID 3ao6HXLKD4Y
InChI InChI=1S/C26H33NO5/c1-16-7-5-9-20-25(3,11-10-18-13-21(28)31-15-18)17(2)22(29)23(26(16,20)4)32-24(30)19-8-6-12-27-14-19/h6-8,12-14,17,20,22-23,29H,5,9-11,15H2,1-4H3/t17-,20-,22-,23+,25+,26+/m1/s1
InChIKey CWCLIHAOVIAUGY-BAMVNRKBSA-N
Mol Weight 439.6 g/mol
Molecular Formula C26H33NO5
Exact Mass 439.235873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tnTLIq4AXX
Name SCUTEBARBATINE-Z;6-ALPHA-NICOTINOYLOXY-7-BETA-HYDROXY-3,13-NEO-CLERODADIEN-15,16-OLIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H33NO5
InChI InChI=1S/C26H33NO5/c1-16-7-5-9-20-25(3,11-10-18-13-21(28)31-15-18)17(2)22(29)23(26(16,20)4)32-24(30)19-8-6-12-27-14-19/h6-8,12-14,17,20,22-23,29H,5,9-11,15H2,1-4H3/t17-,20-,22-,23+,25+,26+/m1/s1
InChIKey CWCLIHAOVIAUGY-BAMVNRKBSA-N
Literature Reference Author F.WANG,F.C.REN,Y.J.LI,J.K.LIU
Literature Reference Citation CHEM.PHARM.BULL.,58,1267(2010)
Literature Reference DOI 10.1248/cpb.58.1267
Molecular Weight 439.552 g/mol
Source File Reference UWBT3908