John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1QEYSpsS7vm SpectraBase Spectrum ID=10JnahRFcUP

(accessed ).
1-ALPHA-ACETOXY-2-ALPHA,6-BETA,9-BETA,15-TETRABENZOYLOXY-BETA-DIHYDROAGAROFURAN
SpectraBase Compound ID 1QEYSpsS7vm
InChI InChI=1S/C45H44O11/c1-28-25-35(53-40(48)31-19-11-6-12-20-31)38(52-29(2)46)44(27-51-39(47)30-17-9-5-10-18-30)36(54-41(49)32-21-13-7-14-22-32)26-34-37(45(28,44)56-43(34,3)4)55-42(50)33-23-15-8-16-24-33/h5-24,28,34-38H,25-27H2,1-4H3/t28-,34-,35+,36+,37-,38+,44-,45-/m1/s1
InChIKey CZZSDKFRUYZLHU-DQSPPWPVSA-N
Mol Weight 760.8 g/mol
Molecular Formula C45H44O11
Exact Mass 760.288363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10JnahRFcUP
Name 1-ALPHA-ACETOXY-2-ALPHA,6-BETA,9-BETA,15-TETRABENZOYLOXY-BETA-DIHYDROAGAROFURAN
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H44O11
InChI InChI=1S/C45H44O11/c1-28-25-35(53-40(48)31-19-11-6-12-20-31)38(52-29(2)46)44(27-51-39(47)30-17-9-5-10-18-30)36(54-41(49)32-21-13-7-14-22-32)26-34-37(45(28,44)56-43(34,3)4)55-42(50)33-23-15-8-16-24-33/h5-24,28,34-38H,25-27H2,1-4H3/t28-,34-,35+,36+,37-,38+,44-,45-/m1/s1
InChIKey CZZSDKFRUYZLHU-DQSPPWPVSA-N
Literature Reference Author J.J.CHEN,T.H.CHOU,C.Y.DUH,I.S.CHEN
Literature Reference Citation J.NAT.PROD.,69,685(2006)
Literature Reference DOI 10.1021/np050458k
Molecular Weight 760.838 g/mol
Solvent CDCl3
Source File Reference UWMZ18307
SpectraBase Batch ID 9UQGVfopcz4