| SpectraBase Compound ID | 4k3lLeLTroC |
|---|---|
| InChI | InChI=1S/C44H63NO8/c1-27-17-22-44(38(49)45-32(37(48)51-9)25-30-13-11-10-12-14-30)24-23-41(6)31(36(44)43(27,8)50)15-16-34-39(4)20-19-35(53-29(3)47)40(5,26-52-28(2)46)33(39)18-21-42(34,41)7/h10-15,27,32-36,50H,16-26H2,1-9H3,(H,45,49)/t27-,32?,33-,34-,35+,36-,39+,40+,41-,42-,43-,44+/m1/s1 |
| InChIKey | QGNMYSRLADURFA-UWTJLLQWSA-N |
| Mol Weight | 734.0 g/mol |
| Molecular Formula | C44H63NO8 |
| Exact Mass | 733.455368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4OH1g1yP3Pv |
|---|---|
| Name | METHYL-N-(3-BETA,23-DIACETOXY-19-ALPHA-HYDROXY-URS-12-EN-28-OYL)-2-AMINO-3-PHENYL-PROPIONATE |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H63NO8 |
| InChI | InChI=1S/C44H63NO8/c1-27-17-22-44(38(49)45-32(37(48)51-9)25-30-13-11-10-12-14-30)24-23-41(6)31(36(44)43(27,8)50)15-16-34-39(4)20-19-35(53-29(3)47)40(5,26-52-28(2)46)33(39)18-21-42(34,41)7/h10-15,27,32-36,50H,16-26H2,1-9H3,(H,45,49)/t27-,32?,33-,34-,35+,36-,39+,40+,41-,42-,43-,44+/m1/s1 |
| InChIKey | QGNMYSRLADURFA-UWTJLLQWSA-N |
| Literature Reference Author | Y.F.HE,M.L.NAN,J.M.SUN,Z.J.MENG,F.G.YUE,Q.C.ZHAO,X.H.YANG,H. WANG |
| Literature Reference Citation | MOLECULES,17,1278(2012) |
| Literature Reference DOI | 10.3390/molecules17021278 |
| Molecular Weight | 733.986 g/mol |
| Sample ID | 73101 |
| Solvent | C5D5N |