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BULLATACIN
SpectraBase Compound ID L78JEDc1Mdw
InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31+,32+,33-,34+,35-,36+/m0/s1
InChIKey MBABCNBNDNGODA-IMEDPYHGSA-N
Mol Weight 622.9 g/mol
Molecular Formula C37H66O7
Exact Mass 622.480854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtQFX7cOgo7
Name BULLATACIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66O7
InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31+,32+,33-,34+,35-,36+/m0/s1
InChIKey MBABCNBNDNGODA-IMEDPYHGSA-N
Literature Reference Author D.C.HOPP,L.ZENG,Z.GU,J.L.MCLAUGHLIN
Literature Reference Citation J.NAT.PROD.,59,97(1996)
Literature Reference DOI 10.1021/np960124i
Molecular Weight 622.927 g/mol
Solvent CDCl3
Source File Reference UWVP2537