| SpectraBase Compound ID | HTjSY8ID53P |
|---|---|
| InChI | InChI=1S/C37H56O9/c1-22(38)44-20-37(21-45-23(2)39)27-12-15-35(8)26(33(27,6)14-13-28(37)46-24(3)40)11-10-25-29-30(41)32(4,5)16-18-36(29,31(42)43-9)19-17-34(25,35)7/h10,26-30,41H,11-21H2,1-9H3/t26-,27-,28+,29-,30+,33-,34-,35-,36+/m1/s1 |
| InChIKey | AUMCXKMAZWGNEN-KGWFECLTSA-N |
| Mol Weight | 644.8 g/mol |
| Molecular Formula | C37H56O9 |
| Exact Mass | 644.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3sfz3FvJ43h |
|---|---|
| Name | METHYL-19-ALPHA-3-BETA,23,24-TRIACETOXY-12-OLEANEN-28-OATE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H56O9 |
| InChI | InChI=1S/C37H56O9/c1-22(38)44-20-37(21-45-23(2)39)27-12-15-35(8)26(33(27,6)14-13-28(37)46-24(3)40)11-10-25-29-30(41)32(4,5)16-18-36(29,31(42)43-9)19-17-34(25,35)7/h10,26-30,41H,11-21H2,1-9H3/t26-,27-,28+,29-,30+,33-,34-,35-,36+/m1/s1 |
| InChIKey | AUMCXKMAZWGNEN-KGWFECLTSA-N |
| Literature Reference Author | C.B.BROCHINI,D.MARTINS,N.F.ROQUE,V.D.S.BOLZANI |
| Literature Reference Citation | PHYTOCHEM.,36,1293(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89654-5 |
| Molecular Weight | 644.846 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26306 |