| SpectraBase Compound ID | FNfEkfoXAJ2 |
|---|---|
| InChI | InChI=1S/C41H58N2O6/c1-24-13-18-41(35(48)43-29(34(46)47)21-25-22-42-28-10-8-7-9-26(25)28)20-19-38(4)27(33(41)40(24,6)49)11-12-31-36(2)16-15-32(45)37(3,23-44)30(36)14-17-39(31,38)5/h7-11,22,24,29-33,42,44-45,49H,12-21,23H2,1-6H3,(H,43,48)(H,46,47)/t24-,29?,30-,31-,32+,33-,36+,37+,38-,39-,40-,41+/m1/s1 |
| InChIKey | XOXVTDMLWOOBFB-RLRVHGPBSA-N |
| Mol Weight | 674.9 g/mol |
| Molecular Formula | C41H58N2O6 |
| Exact Mass | 674.429488 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gSo34V07aK |
|---|---|
| Name | N-(3-BETA,19-ALPHA,23-TRIHYDROXY-URS-12-EN-28-OYL)-2-AMINO-3-(1H-INDOL-3-YL)-PROPIONIC-ACID |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H58N2O6 |
| InChI | InChI=1S/C41H58N2O6/c1-24-13-18-41(35(48)43-29(34(46)47)21-25-22-42-28-10-8-7-9-26(25)28)20-19-38(4)27(33(41)40(24,6)49)11-12-31-36(2)16-15-32(45)37(3,23-44)30(36)14-17-39(31,38)5/h7-11,22,24,29-33,42,44-45,49H,12-21,23H2,1-6H3,(H,43,48)(H,46,47)/t24-,29?,30-,31-,32+,33-,36+,37+,38-,39-,40-,41+/m1/s1 |
| InChIKey | XOXVTDMLWOOBFB-RLRVHGPBSA-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 | 674.921 g/mol |
| Sample ID | 73104 |
| Solvent | C5D5N |