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1-ALPHA,6-BETA-DIACETOXY-2-ALPHA,9-BETA-DIBENZOYLOXY-15-ISOBUTANOYLOXY-BETA-DIHYDROAGAROFURAN
SpectraBase Compound ID 1lqKwj7Nwpz
InChI InChI=1S/C38H46O11/c1-22(2)18-31(41)44-21-37-30(48-35(43)27-16-12-9-13-17-27)20-28-32(45-24(4)39)38(37,49-36(28,6)7)23(3)19-29(33(37)46-25(5)40)47-34(42)26-14-10-8-11-15-26/h8-17,22-23,28-30,32-33H,18-21H2,1-7H3/t23-,28-,29+,30+,32-,33+,37-,38-/m1/s1
InChIKey BLOHSDHMGDNCOV-UDJQVXKASA-N
Mol Weight 678.8 g/mol
Molecular Formula C38H46O11
Exact Mass 678.304012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBS94BwshbY
Name 1-ALPHA,6-BETA-DIACETOXY-2-ALPHA,9-BETA-DIBENZOYLOXY-15-ISOBUTANOYLOXY-BETA-DIHYDROAGAROFURAN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H46O11
InChI InChI=1S/C38H46O11/c1-22(2)18-31(41)44-21-37-30(48-35(43)27-16-12-9-13-17-27)20-28-32(45-24(4)39)38(37,49-36(28,6)7)23(3)19-29(33(37)46-25(5)40)47-34(42)26-14-10-8-11-15-26/h8-17,22-23,28-30,32-33H,18-21H2,1-7H3/t23-,28-,29+,30+,32-,33+,37-,38-/m1/s1
InChIKey BLOHSDHMGDNCOV-UDJQVXKASA-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 678.777 g/mol
Solvent CDCl3
Source File Reference UWMZ18306