| SpectraBase Compound ID | 2fxM4ZZxeI8 |
|---|---|
| InChI | InChI=1S/C39H57NO6/c1-24-14-19-39(33(45)40-27(32(43)44)22-25-10-8-7-9-11-25)21-20-36(4)26(31(39)38(24,6)46)12-13-29-34(2)17-16-30(42)35(3,23-41)28(34)15-18-37(29,36)5/h7-12,24,27-31,41-42,46H,13-23H2,1-6H3,(H,40,45)(H,43,44)/t24-,27?,28-,29-,30+,31-,34+,35+,36-,37-,38-,39+/m1/s1 |
| InChIKey | TVOOUUZCPMIKBT-WKYLWYKOSA-N |
| Mol Weight | 635.9 g/mol |
| Molecular Formula | C39H57NO6 |
| Exact Mass | 635.418589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVWkIA11SkB |
|---|---|
| Name | N-(3-BETA,19-ALPHA,23-TRIHYDROXY-URS-12-EN-28-OYL)-2-AMINO-3-PHENYL-PROPIONIC-ACID |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H57NO6 |
| InChI | InChI=1S/C39H57NO6/c1-24-14-19-39(33(45)40-27(32(43)44)22-25-10-8-7-9-11-25)21-20-36(4)26(31(39)38(24,6)46)12-13-29-34(2)17-16-30(42)35(3,23-41)28(34)15-18-37(29,36)5/h7-12,24,27-31,41-42,46H,13-23H2,1-6H3,(H,40,45)(H,43,44)/t24-,27?,28-,29-,30+,31-,34+,35+,36-,37-,38-,39+/m1/s1 |
| InChIKey | TVOOUUZCPMIKBT-WKYLWYKOSA-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 | 635.885 g/mol |
| Sample ID | 73105 |
| Solvent | C5D5N |