| SpectraBase Compound ID | 1eP13hmKn1z |
|---|---|
| InChI | InChI=1S/C39H50O11/c1-5-24-15-11-8-6-7-9-14-18-27(41)46-29-22(2)19-26-36(29,44)33(42)35(21-40)31(47-35)28-32-38(45,34(4,43)20-24)30-23(3)37(26,28)50-39(48-30,49-32)25-16-12-10-13-17-25/h6-10,12-14,16-18,22-24,26,28-33,40,42-45H,5,11,15,19-21H2,1-4H3/b8-6-,9-7+,18-14+/t22-,23+,24-,26+,28-,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39+/m0/s1 |
| InChIKey | WRTDWTCMPNBMTQ-JTJDVGBBSA-N |
| Mol Weight | 694.8 g/mol |
| Molecular Formula | C39H50O11 |
| Exact Mass | 694.335312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DlcilQ5SbaH |
|---|---|
| Name | TRIGOCHILIDE-B |
| Compound Number | 79 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H50O11 |
| InChI | InChI=1S/C39H50O11/c1-5-24-15-11-8-6-7-9-14-18-27(41)46-29-22(2)19-26-36(29,44)33(42)35(21-40)31(47-35)28-32-38(45,34(4,43)20-24)30-23(3)37(26,28)50-39(48-30,49-32)25-16-12-10-13-17-25/h6-10,12-14,16-18,22-24,26,28-33,40,42-45H,5,11,15,19-21H2,1-4H3/b8-6-,9-7+,18-14+/t22-,23+,24-,26+,28-,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39+/m0/s1 |
| InChIKey | WRTDWTCMPNBMTQ-JTJDVGBBSA-N |
| Literature Reference Author | H.B.WANG,L.P.LIU,X.Y.WANG |
| Literature Reference Citation | MAGN.RES.CHEM.,51,580(2013) |
| Literature Reference DOI | 10.1002/mrc.3978 |
| Molecular Weight | 694.819 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13530 |