| SpectraBase Compound ID | FfvBjAk71bP |
|---|---|
| InChI | InChI=1S/2C35H56O6/c2*1-10-20(2)29(37)41-27-15-16-33(7)23-14-18-34(8)22(21-19-25(40-30(21)38)28(36)32(5,6)39)13-17-35(34,9)24(23)11-12-26(33)31(27,3)4/h2*10-11,21-23,25-28,30,36,38-39H,12-19H2,1-9H3/b2*20-10+/t2*21-,22-,23?,25?,26?,27+,28?,30?,33-,34+,35-/m11/s1 |
| InChIKey | FUCOFMKDJNHEEO-JOTHKZNSSA-N |
| Mol Weight | 1145.7 g/mol |
| Molecular Formula | C70H112O12 |
| Exact Mass | 1144.815379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aldt8rdOBhd |
|---|---|
| Name | 3-BETA-O-TIGLOYLMELIANTRIOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H112O12 |
| InChI | InChI=1S/2C35H56O6/c2*1-10-20(2)29(37)41-27-15-16-33(7)23-14-18-34(8)22(21-19-25(40-30(21)38)28(36)32(5,6)39)13-17-35(34,9)24(23)11-12-26(33)31(27,3)4/h2*10-11,21-23,25-28,30,36,38-39H,12-19H2,1-9H3/b2*20-10+/t2*21-,22-,23?,25?,26?,27+,28?,30?,33-,34+,35-/m11/s1 |
| InChIKey | FUCOFMKDJNHEEO-JOTHKZNSSA-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 | 1145.652 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA2004 |