| SpectraBase Compound ID | IgMdKylbpd |
|---|---|
| InChI | InChI=1S/C49H80O19/c1-22(50)29-17-35(52)49(56)47(29,7)34(51)21-33-46(6)14-13-28(16-27(46)12-15-48(33,49)55)65-36-18-30(57-8)41(24(3)61-36)66-37-19-31(58-9)42(25(4)62-37)67-38-20-32(59-10)43(26(5)63-38)68-45-40(54)44(60-11)39(53)23(2)64-45/h12,23-26,28-45,51-56H,13-21H2,1-11H3/t23-,24+,25-,26+,28-,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-,40-,41+,42-,43+,44+,45+,46-,47-,48-,49+/m0/s1 |
| InChIKey | HATKAETUJDWFQW-XIWDSHPRSA-N |
| Mol Weight | 973.2 g/mol |
| Molecular Formula | C49H80O19 |
| Exact Mass | 972.52938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsibX56fUZZ |
|---|---|
| Name | 15-BETA-HYDROXYLINEOLON-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANO |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H80O19 |
| InChI | InChI=1S/C49H80O19/c1-22(50)29-17-35(52)49(56)47(29,7)34(51)21-33-46(6)14-13-28(16-27(46)12-15-48(33,49)55)65-36-18-30(57-8)41(24(3)61-36)66-37-19-31(58-9)42(25(4)62-37)67-38-20-32(59-10)43(26(5)63-38)68-45-40(54)44(60-11)39(53)23(2)64-45/h12,23-26,28-45,51-56H,13-21H2,1-11H3/t23-,24+,25-,26+,28-,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-,40-,41+,42-,43+,44+,45+,46-,47-,48-,49+/m0/s1 |
| InChIKey | HATKAETUJDWFQW-XIWDSHPRSA-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 | 973.163 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4815 |