John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HJ4UZTPacbh SpectraBase Spectrum ID=2bRt5AF3cvM

(accessed ).
6-BETA-HYDROXYNEOBOUTOMELLERONE
SpectraBase Compound ID HJ4UZTPacbh
InChI InChI=1S/C34H48O8/c1-17(15-35)18(2)29(40)30(42-22(6)37)20(4)28-25(41-21(5)36)14-32(8)26-13-24(39)27-19(3)23(38)9-10-34(27)16-33(26,34)12-11-31(28,32)7/h9-10,17,19-20,24-28,30,35,39H,2,11-16H2,1,3-8H3/t17-,19+,20-,24+,25-,26-,27+,28-,30+,31+,32-,33-,34+/m0/s1
InChIKey HEMHDIHNEPEXBX-CKVQJATHSA-N
Mol Weight 584.8 g/mol
Molecular Formula C34H48O8
Exact Mass 584.334919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bRt5AF3cvM
Name 6-BETA-HYDROXYNEOBOUTOMELLERONE
Compound Number 7
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H48O8
InChI InChI=1S/C34H48O8/c1-17(15-35)18(2)29(40)30(42-22(6)37)20(4)28-25(41-21(5)36)14-32(8)26-13-24(39)27-19(3)23(38)9-10-34(27)16-33(26,34)12-11-31(28,32)7/h9-10,17,19-20,24-28,30,35,39H,2,11-16H2,1,3-8H3/t17-,19+,20-,24+,25-,26-,27+,28-,30+,31+,32-,33-,34+/m0/s1
InChIKey HEMHDIHNEPEXBX-CKVQJATHSA-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 584.750 g/mol
Sample ID 39719
Solvent CDCl3
SpectraBase Batch ID JQOIrOKXbIY