| SpectraBase Compound ID | FjRPxIfo3zO |
|---|---|
| InChI | InChI=1S/2C35H54O5/c2*1-10-20(2)29(36)39-27-15-16-33(7)23-14-18-34(8)22(21-19-25(38-30(21)37)28-32(5,6)40-28)13-17-35(34,9)24(23)11-12-26(33)31(27,3)4/h2*10-11,21-23,25-28,30,37H,12-19H2,1-9H3/b2*20-10+/t2*21-,22-,23?,25?,26?,27+,28-,30?,33-,34+,35+/m11/s1 |
| InChIKey | PWNQQIBVTXHALR-BRLBTKIGSA-N |
| Mol Weight | 1109.6 g/mol |
| Molecular Formula | C70H108O10 |
| Exact Mass | 1108.79425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2dvIUbUkT5n |
|---|---|
| Name | 3-BETA-O-TIGLOYLMELIANOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H108O10 |
| InChI | InChI=1S/2C35H54O5/c2*1-10-20(2)29(36)39-27-15-16-33(7)23-14-18-34(8)22(21-19-25(38-30(21)37)28-32(5,6)40-28)13-17-35(34,9)24(23)11-12-26(33)31(27,3)4/h2*10-11,21-23,25-28,30,37H,12-19H2,1-9H3/b2*20-10+/t2*21-,22-,23?,25?,26?,27+,28-,30?,33-,34+,35+/m11/s1 |
| InChIKey | PWNQQIBVTXHALR-BRLBTKIGSA-N |
| Literature Reference Author | C.H.MIGUITA,C.D.S.BARBOSA,L.HAMERSKI,U.C.SARMENTO,J.N.D.NASC IMENTO,W.S.GARCEZ,F. |
| Literature Reference Citation | MOLECULES,20,111(2015) |
| Literature Reference DOI | 10.3390/molecules20010111 |
| Molecular Weight | 1109.622 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA2001 |