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1-ALPHA,6-BETA-DIACETOXY-2-ALPHA,9-BETA,15-TRIBENZOYLOXY-BETA-DIHYDROAGAROFURAN
SpectraBase Compound ID CrfdKGZODnG
InChI InChI=1S/C40H42O11/c1-24-21-31(49-36(44)28-17-11-7-12-18-28)34(48-26(3)42)39(23-46-35(43)27-15-9-6-10-16-27)32(50-37(45)29-19-13-8-14-20-29)22-30-33(47-25(2)41)40(24,39)51-38(30,4)5/h6-20,24,30-34H,21-23H2,1-5H3/t24-,30-,31+,32+,33-,34+,39-,40-/m1/s1
InChIKey NDGTVMJNLFEYMW-NPIRVHPYSA-N
Mol Weight 698.8 g/mol
Molecular Formula C40H42O11
Exact Mass 698.272712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vDK96z1WZB
Name 1-ALPHA,6-BETA-DIACETOXY-2-ALPHA,9-BETA,15-TRIBENZOYLOXY-BETA-DIHYDROAGAROFURAN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42O11
InChI InChI=1S/C40H42O11/c1-24-21-31(49-36(44)28-17-11-7-12-18-28)34(48-26(3)42)39(23-46-35(43)27-15-9-6-10-16-27)32(50-37(45)29-19-13-8-14-20-29)22-30-33(47-25(2)41)40(24,39)51-38(30,4)5/h6-20,24,30-34H,21-23H2,1-5H3/t24-,30-,31+,32+,33-,34+,39-,40-/m1/s1
InChIKey NDGTVMJNLFEYMW-NPIRVHPYSA-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 698.767 g/mol
Solvent CDCl3
Source File Reference UWMZ18304