| SpectraBase Compound ID | 4MyqZZpsadD |
|---|---|
| InChI | InChI=1S/C46H64N2O8/c1-27-16-21-46(40(52)48-34(39(51)54-9)24-30-25-47-33-13-11-10-12-31(30)33)23-22-43(6)32(38(46)45(27,8)53)14-15-36-41(4)19-18-37(56-29(3)50)42(5,26-55-28(2)49)35(41)17-20-44(36,43)7/h10-14,25,27,34-38,47,53H,15-24,26H2,1-9H3,(H,48,52)/t27-,34?,35-,36-,37+,38-,41+,42+,43-,44-,45-,46+/m1/s1 |
| InChIKey | QWZHOHNEVNFGHO-DFNOPVIESA-N |
| Mol Weight | 773.0 g/mol |
| Molecular Formula | C46H64N2O8 |
| Exact Mass | 772.466267 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DE0ByiEhkkT |
|---|---|
| Name | METHYL-N-(3-BETA,23-DIACETOXY-19-ALPHA-HYDROXY-URS-12-EN-28-OYL)-2-AMINO-3-(1H-INDOL-3-YL)-PROPIONATE |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H64N2O8 |
| InChI | InChI=1S/C46H64N2O8/c1-27-16-21-46(40(52)48-34(39(51)54-9)24-30-25-47-33-13-11-10-12-31(30)33)23-22-43(6)32(38(46)45(27,8)53)14-15-36-41(4)19-18-37(56-29(3)50)42(5,26-55-28(2)49)35(41)17-20-44(36,43)7/h10-14,25,27,34-38,47,53H,15-24,26H2,1-9H3,(H,48,52)/t27-,34?,35-,36-,37+,38-,41+,42+,43-,44-,45-,46+/m1/s1 |
| InChIKey | QWZHOHNEVNFGHO-DFNOPVIESA-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 | 773.023 g/mol |
| Sample ID | 73100 |
| Solvent | C5D5N |