| SpectraBase Compound ID | Bxg5HPIkIdU |
|---|---|
| InChI | InChI=1S/C32H40O12/c1-15(33)39-19-13-29(6)25(18-9-10-38-14-18)42-27(37)26-32(29,44-26)31(8)22(41-17(3)35)11-20-28(4,5)43-23(36)12-21(40-16(2)34)30(20,7)24(19)31/h9-10,14,19-22,24-26H,11-13H2,1-8H3/t19-,20-,21+,22+,24+,25-,26+,29-,30+,31+,32+/m0/s1 |
| InChIKey | LLKSEVKQBGUFFZ-SQDORUSVSA-N |
| Mol Weight | 616.7 g/mol |
| Molecular Formula | C32H40O12 |
| Exact Mass | 616.251977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4VxDdlB2ZIB |
|---|---|
| Name | TOONIN-A;7-ACETYL-11-BETA-ACETOXY-1-EPIDIHYDRO-NOMILIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O12 |
| InChI | InChI=1S/C32H40O12/c1-15(33)39-19-13-29(6)25(18-9-10-38-14-18)42-27(37)26-32(29,44-26)31(8)22(41-17(3)35)11-20-28(4,5)43-23(36)12-21(40-16(2)34)30(20,7)24(19)31/h9-10,14,19-22,24-26H,11-13H2,1-8H3/t19-,20-,21+,22+,24+,25-,26+,29-,30+,31+,32+/m0/s1 |
| InChIKey | LLKSEVKQBGUFFZ-SQDORUSVSA-N |
| Literature Reference Author | X.J.DONG,Y.F.ZHU,G.H.BAO,F.L.HU,G.W.QIN |
| Literature Reference Citation | MOLECULES,18,2840(2013) |
| Literature Reference DOI | 10.3390/molecules18032840 |
| Molecular Weight | 616.662 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT8922 |