| SpectraBase Compound ID | JbtYxnZ1Kds |
|---|---|
| InChI | InChI=1S/2C39H44O12/c2*1-20(40)48-27-17-26(42)38-19-47-34(45)35(27,3)25(38)16-28(50-30(43)12-11-22-9-7-6-8-10-22)37(5)32(38)31(44)33(49-21(2)41)36(4)24(23-13-14-46-18-23)15-29-39(36,37)51-29/h2*6-14,18,24-29,32-34,42,45H,15-17,19H2,1-5H3/b2*12-11+/t24-,25-,26-,27+,28+,29+,32-,33-,34+,35-,36+,37+,38+,39+;24-,25-,26-,27+,28+,29+,32-,33-,34-,35-,36+,37+,38+,39+/m00/s1 |
| InChIKey | GGAJNVOCHSSBCT-YLIJSFDOSA-N |
| Mol Weight | 1409.5 g/mol |
| Molecular Formula | C78H88O24 |
| Exact Mass | 1408.566554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1eQaypLtb73 |
|---|---|
| Name | 7-CINNAMOYL-TOOSENDANIN;(29R/29S)-EPIMER;MIXTURE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H88O24 |
| InChI | InChI=1S/2C39H44O12/c2*1-20(40)48-27-17-26(42)38-19-47-34(45)35(27,3)25(38)16-28(50-30(43)12-11-22-9-7-6-8-10-22)37(5)32(38)31(44)33(49-21(2)41)36(4)24(23-13-14-46-18-23)15-29-39(36,37)51-29/h2*6-14,18,24-29,32-34,42,45H,15-17,19H2,1-5H3/b2*12-11+/t24-,25-,26-,27+,28+,29+,32-,33-,34+,35-,36+,37+,38+,39+;24-,25-,26-,27+,28+,29+,32-,33-,34-,35-,36+,37+,38+,39+/m00/s1 |
| InChIKey | GGAJNVOCHSSBCT-YLIJSFDOSA-N |
| Literature Reference Author | H.B.LIU,C.R.ZHANG,S.H.DONG,L.DONG,Y.WU,J.M.YUE |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1003(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1003 |
| Molecular Weight | 1409.542 g/mol |
| Source File Reference | UWIR3472 |