| SpectraBase Compound ID | LMNsYbgvPC7 |
|---|---|
| InChI | InChI=1S/C40H56O9/c1-19-17-47-29-21(19)7-10-24-23(29)9-11-25-36(24,5)16-14-27(41)37(25,6)18-48-34-38-26-12-8-22-20(2)31(43)39(26,32(22)44)40(46,49-34)33(45)30(38)35(3,4)15-13-28(38)42/h9,21-22,24-30,32-34,41-42,44-46H,1-2,7-8,10-18H2,3-6H3/t21-,22-,24+,25-,26-,27+,28-,29+,30+,32+,33-,34-,36-,37+,38-,39-,40+/m0/s1 |
| InChIKey | XURXXGUEOSCTBP-MMTJBSIJSA-N |
| Mol Weight | 680.9 g/mol |
| Molecular Formula | C40H56O9 |
| Exact Mass | 680.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | agF1orffsD |
|---|---|
| Name | HEBEIABININ-E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O9 |
| InChI | InChI=1S/C40H56O9/c1-19-17-47-29-21(19)7-10-24-23(29)9-11-25-36(24,5)16-14-27(41)37(25,6)18-48-34-38-26-12-8-22-20(2)31(43)39(26,32(22)44)40(46,49-34)33(45)30(38)35(3,4)15-13-28(38)42/h9,21-22,24-30,32-34,41-42,44-46H,1-2,7-8,10-18H2,3-6H3/t21-,22-,24+,25-,26-,27+,28-,29+,30+,32+,33-,34-,36-,37+,38-,39-,40+/m0/s1 |
| InChIKey | XURXXGUEOSCTBP-MMTJBSIJSA-N |
| Literature Reference Author | S.X.HUANG,J.X.PU,W.L.XIAO,L.M.LI,Z.Y.WENG,Y.ZHOU,Q.B.HAN,S.L .PENG,L.S.DING,L.G.L |
| Literature Reference Citation | PHYTOCHEM.,68,616(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.11.007 |
| Molecular Weight | 680.879 g/mol |
| Sample ID | 42609 |
| Solvent | C5D5N |