| SpectraBase Compound ID | JlMZCDNIbCW |
|---|---|
| InChI | InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(30(46)29(45)24(19-42)51-34)53-33-31(47)28(44)23(43)20-50-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22?,23-,24+,25?,26?,27-,28-,29-,30-,31+,32+,33+,34-,38-,39+,40+,41-/m0/s1 |
| InChIKey | PDCALJUWWJEWKR-NMPQAORBSA-N |
| Mol Weight | 751.0 g/mol |
| Molecular Formula | C41H66O12 |
| Exact Mass | 750.455428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GMBHfRJQ62j |
|---|---|
| Name | SAPONIN-E3;3-O-(ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL)-OLEANOIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O12 |
| InChI | InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(30(46)29(45)24(19-42)51-34)53-33-31(47)28(44)23(43)20-50-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22?,23-,24+,25?,26?,27-,28-,29-,30-,31+,32+,33+,34-,38-,39+,40+,41-/m0/s1 |
| InChIKey | PDCALJUWWJEWKR-NMPQAORBSA-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 | 750.968 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS23233 |