John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LQK0ZC9Lj2p SpectraBase Spectrum ID=291Df6Ya5P9

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EXCAVATOLIDE-H
SpectraBase Compound ID LQK0ZC9Lj2p
InChI InChI=1S/C34H48O13/c1-10-12-26(38)44-22-16-24(41-19(5)35)32(8)28(18(22)4)30(43-21(7)37)34-25(46-31(40)33(34,9)47-34)15-17(3)14-23(29(32)42-20(6)36)45-27(39)13-11-2/h15,18,22-25,28-30H,10-14,16H2,1-9H3/b17-15-/t18-,22-,23-,24-,25-,28+,29-,30-,32-,33-,34-/m0/s1
InChIKey ISQVFOAGBSWCLK-KHLNFUGXSA-N
Mol Weight 664.7 g/mol
Molecular Formula C34H48O13
Exact Mass 664.309492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 291Df6Ya5P9
Name EXCAVATOLIDE-H
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H48O13
InChI InChI=1S/C34H48O13/c1-10-12-26(38)44-22-16-24(41-19(5)35)32(8)28(18(22)4)30(43-21(7)37)34-25(46-31(40)33(34,9)47-34)15-17(3)14-23(29(32)42-20(6)36)45-27(39)13-11-2/h15,18,22-25,28-30H,10-14,16H2,1-9H3/b17-15-/t18-,22-,23-,24-,25-,28+,29-,30-,32-,33-,34-/m0/s1
InChIKey ISQVFOAGBSWCLK-KHLNFUGXSA-N
Literature Reference Author P.J.SUNG,J.H.SU,G.H.WANG,S.F.LIN,C.Y.DUH,J.H.SHEU
Literature Reference Citation J.NAT.PROD.,62,457(1999)
Literature Reference DOI 10.1021/np980446h
Molecular Weight 664.747 g/mol
Solvent ACETONE-D6
Source File Reference UWCP7879
SpectraBase Batch ID 2MUUJyvT3u6