| SpectraBase Compound ID | D5Qqiq8fGAP |
|---|---|
| InChI | InChI=1S/C48H78O19/c1-21-29(53)31(55)34(58)40(62-21)66-37-32(56)30(54)24(18-49)63-42(37)65-36-33(57)35(59)41(67-38(36)39(60)61)64-28-11-12-45(4)25(46(28,5)20-51)10-13-48(7)26(45)9-8-22-23-16-43(2,19-50)17-27(52)44(23,3)14-15-47(22,48)6/h8,21,23-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61)/t21-,23+,24+,25-,26-,27-,28+,29-,30+,31+,32-,33-,34+,35-,36+,37+,38+,40-,41-,42-,43+,44-,45+,46-,47-,48-/m1/s1 |
| InChIKey | MHMMKIVTZAPWOO-XNNYKVFNSA-N |
| Mol Weight | 959.1 g/mol |
| Molecular Formula | C48H78O19 |
| Exact Mass | 958.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L8dZQHl1dQa |
|---|---|
| Name | #1;OXYTROGENOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSIDE;3-BETA,22-BETA,24-29-TETRAHYDROXY-OLEAN-12-ENE-3-O-AL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O19 |
| InChI | InChI=1S/C48H78O19/c1-21-29(53)31(55)34(58)40(62-21)66-37-32(56)30(54)24(18-49)63-42(37)65-36-33(57)35(59)41(67-38(36)39(60)61)64-28-11-12-45(4)25(46(28,5)20-51)10-13-48(7)26(45)9-8-22-23-16-43(2,19-50)17-27(52)44(23,3)14-15-47(22,48)6/h8,21,23-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61)/t21-,23+,24+,25-,26-,27-,28+,29-,30+,31+,32-,33-,34+,35-,36+,37+,38+,40-,41-,42-,43+,44-,45+,46-,47-,48-/m1/s1 |
| InChIKey | MHMMKIVTZAPWOO-XNNYKVFNSA-N |
| Literature Reference Author | R.Q.SUN,Z.J.JIA |
| Literature Reference Citation | PHYTOCHEM.,29,2032(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85065-N |
| Molecular Weight | 959.136 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU32291 |