| SpectraBase Compound ID | 8b4AsKsPogL |
|---|---|
| InChI | InChI=1S/C50H80O20/c1-23-39(54)44(61-11)40(55)45(65-23)70-43-26(4)64-38(21-33(43)60-10)69-42-25(3)63-37(20-32(42)59-9)68-41-24(2)62-36(19-31(41)53)67-30-13-14-46(7)29(18-30)12-15-49(57)34(46)22-35(66-28(6)52)47(8)48(56,27(5)51)16-17-50(47,49)58/h12,23-26,30-45,53-58H,13-22H2,1-11H3/t23-,24-,25-,26+,30-,31+,32+,33+,34+,35+,36+,37+,38-,39-,40-,41-,42-,43+,44+,45+,46-,47+,48+,49-,50+/m0/s1 |
| InChIKey | JRMIUJCJYJKCOE-CGYMROGJSA-N |
| Mol Weight | 1001.2 g/mol |
| Molecular Formula | C50H80O20 |
| Exact Mass | 1000.524295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EeP4vRJU5Cn |
|---|---|
| Name | METAPLEXIGENIN-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80O20 |
| InChI | InChI=1S/C50H80O20/c1-23-39(54)44(61-11)40(55)45(65-23)70-43-26(4)64-38(21-33(43)60-10)69-42-25(3)63-37(20-32(42)59-9)68-41-24(2)62-36(19-31(41)53)67-30-13-14-46(7)29(18-30)12-15-49(57)34(46)22-35(66-28(6)52)47(8)48(56,27(5)51)16-17-50(47,49)58/h12,23-26,30-45,53-58H,13-22H2,1-11H3/t23-,24-,25-,26+,30-,31+,32+,33+,34+,35+,36+,37+,38-,39-,40-,41-,42-,43+,44+,45+,46-,47+,48+,49-,50+/m0/s1 |
| InChIKey | JRMIUJCJYJKCOE-CGYMROGJSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,99(2000) |
| Literature Reference DOI | 10.1248/cpb.48.99 |
| Molecular Weight | 1001.173 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4810 |