| SpectraBase Compound ID | 3Ybq1nGz9tr |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-39-36(57)33(54)31(52)25(19-48)60-39)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)62-40-37(34(55)32(53)26(20-49)61-40)63-38-35(56)30(51)24(50)21-59-38/h8,23-40,48-57H,9-21H2,1-7H3/t23?,24-,25+,26+,27?,28?,29-,30-,31+,32-,33-,34-,35+,36+,37+,38+,39-,40-,44-,45+,46+,47-/m0/s1 |
| InChIKey | QZLPNDOKXHEYFW-JHXCHEILSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JyeFRFx44SC |
|---|---|
| Name | SAPONIN-E7;3-O-(ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL)-OLEANOIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-39-36(57)33(54)31(52)25(19-48)60-39)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)62-40-37(34(55)32(53)26(20-49)61-40)63-38-35(56)30(51)24(50)21-59-38/h8,23-40,48-57H,9-21H2,1-7H3/t23?,24-,25+,26+,27?,28?,29-,30-,31+,32-,33-,34-,35+,36+,37+,38+,39-,40-,44-,45+,46+,47-/m0/s1 |
| InChIKey | QZLPNDOKXHEYFW-JHXCHEILSA-N |
| Literature Reference Author | B.M.HEINZMANN,E.P.SCHENKEL |
| Literature Reference Citation | J.NAT.PROD.,58,1419(1995) |
| Literature Reference DOI | 10.1021/np50123a012 |
| Molecular Weight | 913.110 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS23234 |