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BATZELLADINE-B

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BATZELLADINE-B
SpectraBase Compound ID 1BLVgdstzI7
InChI InChI=1S/C40H67N9O4/c1-3-4-5-9-12-18-29-27-30-21-22-33-34(28(2)45-40(46-29)49(30)33)36(50)52-25-15-11-8-6-7-10-13-19-31-35(32-20-17-24-48(32)39(43)47-31)37(51)53-26-16-14-23-44-38(41)42/h29-31,33H,3-27H2,1-2H3,(H2,43,47)(H,45,46)(H4,41,42,44)/t29-,30+,31?,33-/m1/s1
InChIKey CFRXQGXKLCOKGG-BNKKYZKKSA-N
Mol Weight 738.0 g/mol
Molecular Formula C40H67N9O4
Exact Mass 737.531602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EeOeRB55qzD
Name BATZELLADINE-B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H67N9O4
InChI InChI=1S/C40H67N9O4/c1-3-4-5-9-12-18-29-27-30-21-22-33-34(28(2)45-40(46-29)49(30)33)36(50)52-25-15-11-8-6-7-10-13-19-31-35(32-20-17-24-48(32)39(43)47-31)37(51)53-26-16-14-23-44-38(41)42/h29-31,33H,3-27H2,1-2H3,(H2,43,47)(H,45,46)(H4,41,42,44)/t29-,30+,31?,33-/m1/s1
InChIKey CFRXQGXKLCOKGG-BNKKYZKKSA-N
Literature Reference Author A.D.PATIL,N.V.KUMAR,W.C.KOKKE,M.F.BEAN,A.J.FREYER,C.DEBROSSE ,S.MAI,A.TRUNEH,D.J.
Literature Reference Citation J.ORG.CHEM.,60,1182(1995)
Literature Reference DOI 10.1021/jo00110a021
Molecular Weight 738.030 g/mol
Solvent METHANOL-D4
Source File Reference UWGE502