John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JUwnqsVGaYl SpectraBase Spectrum ID=2AoRz541oCZ

(accessed ).
LEANDREANIN-B;2-ACETYLLEANDREANIN-A
SpectraBase Compound ID JUwnqsVGaYl
InChI InChI=1S/C38H46O17/c1-18(39)49-25-15-31(5,28(45)22-11-12-48-16-22)24(14-27(44)47-10)36-30(51-20(3)41)37(52-21(4)42)29(50-19(2)40)32(6)17-35(37)33(7,23(32)13-26(43)46-9)38(25,36)55-34(8,53-35)54-36/h11-12,16,23-25,29-30H,13-15,17H2,1-10H3/t23-,24+,25+,29-,30-,31+,32+,33+,34?,35-,36+,37-,38-/m0/s1
InChIKey WDSUDLNQRNVFBV-OYCYSCIUSA-N
Mol Weight 774.8 g/mol
Molecular Formula C38H46O17
Exact Mass 774.273501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AoRz541oCZ
Name LEANDREANIN-B;2-ACETYLLEANDREANIN-A
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H46O17
InChI InChI=1S/C38H46O17/c1-18(39)49-25-15-31(5,28(45)22-11-12-48-16-22)24(14-27(44)47-10)36-30(51-20(3)41)37(52-21(4)42)29(50-19(2)40)32(6)17-35(37)33(7,23(32)13-26(43)46-9)38(25,36)55-34(8,53-35)54-36/h11-12,16,23-25,29-30H,13-15,17H2,1-10H3/t23-,24+,25+,29-,30-,31+,32+,33+,34?,35-,36+,37-,38-/m0/s1
InChIKey WDSUDLNQRNVFBV-OYCYSCIUSA-N
Literature Reference Author P.H.COOMBES,D.A.MULHOLLAND,M.RANDRIANARIVELOJOSIA
Literature Reference Citation J.NAT.PROD.,66,735(2003)
Literature Reference DOI 10.1021/np020481v
Molecular Weight 774.773 g/mol
Solvent CDCl3
Source File Reference UWSI7819
SpectraBase Batch ID 2HxS3ZZzqry