John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Aai5nrU1Khv SpectraBase Spectrum ID=1iY0gASy0qS

(accessed ).
26-ACETYLNEOBOUTOMELLERONE;16,22,26-TRI-O-ACETYL-26-HYDROXY-29-NOR-24-METHYLCYCLOART-1,24-(24A)-DIENE-3,23-DIONE
SpectraBase Compound ID Aai5nrU1Khv
InChI InChI=1S/C36H50O8/c1-19(17-42-23(5)37)20(2)31(41)32(44-25(7)39)22(4)30-28(43-24(6)38)16-34(9)29-11-10-26-21(3)27(40)12-13-35(26)18-36(29,35)15-14-33(30,34)8/h12-13,19,21-22,26,28-30,32H,2,10-11,14-18H2,1,3-9H3/t19-,21-,22-,26-,28-,29-,30-,32+,33+,34-,35+,36-/m0/s1
InChIKey ZYOYWQGOCXYURL-IZSFGESFSA-N
Mol Weight 610.8 g/mol
Molecular Formula C36H50O8
Exact Mass 610.350569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iY0gASy0qS
Name 26-ACETYLNEOBOUTOMELLERONE;16,22,26-TRI-O-ACETYL-26-HYDROXY-29-NOR-24-METHYLCYCLOART-1,24-(24A)-DIENE-3,23-DIONE
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H50O8
InChI InChI=1S/C36H50O8/c1-19(17-42-23(5)37)20(2)31(41)32(44-25(7)39)22(4)30-28(43-24(6)38)16-34(9)29-11-10-26-21(3)27(40)12-13-35(26)18-36(29,35)15-14-33(30,34)8/h12-13,19,21-22,26,28-30,32H,2,10-11,14-18H2,1,3-9H3/t19-,21-,22-,26-,28-,29-,30-,32+,33+,34-,35+,36-/m0/s1
InChIKey ZYOYWQGOCXYURL-IZSFGESFSA-N
Literature Reference Author C.LONG,J.BECK,F.CANTAGREL,L.MARCOURT,L.VENDIER,B.DAVID,F.PLI SSON,F.DERGUINI,I.VA
Literature Reference Citation J.NAT.PROD.,75,34(2012)
Literature Reference DOI 10.1021/np200441h
Molecular Weight 610.788 g/mol
Sample ID 39713
Solvent CD3CN
SpectraBase Batch ID JwKRzV8ZmMk