| SpectraBase Compound ID | GZLZr0jnHXP |
|---|---|
| InChI | InChI=1S/C48H80O17/c1-22-31(53)34(56)37(65-42-38(35(57)33(55)27(19-49)62-42)64-40-36(58)32(54)25(51)20-60-40)41(61-22)63-30-11-12-45(6)28(44(30,4)5)10-13-46(7)39(45)26(59-9)16-23-24-17-43(2,3)14-15-48(24,21-50)29(52)18-47(23,46)8/h16,22,24-42,49-58H,10-15,17-21H2,1-9H3/t22-,24+,25-,26-,27-,28+,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,45+,46-,47-,48-/m1/s1 |
| InChIKey | GHGSMSLFPHINJZ-XVFMJRNASA-N |
| Mol Weight | 929.2 g/mol |
| Molecular Formula | C48H80O17 |
| Exact Mass | 928.539551 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1bAf5NUdKP9 |
|---|---|
| Name | #15;ROTUNDIOSIDE-X;11-ALPHA-METHOXY-16-ALPHA,28-DIHYDROXY-OLEAN-12-EN-3-BETA-YL-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O17 |
| InChI | InChI=1S/C48H80O17/c1-22-31(53)34(56)37(65-42-38(35(57)33(55)27(19-49)62-42)64-40-36(58)32(54)25(51)20-60-40)41(61-22)63-30-11-12-45(6)28(44(30,4)5)10-13-46(7)39(45)26(59-9)16-23-24-17-43(2,3)14-15-48(24,21-50)29(52)18-47(23,46)8/h16,22,24-42,49-58H,10-15,17-21H2,1-9H3/t22-,24+,25-,26-,27-,28+,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,45+,46-,47-,48-/m1/s1 |
| InChIKey | GHGSMSLFPHINJZ-XVFMJRNASA-N |
| Literature Reference Author | T.FUJIOKA,K.YOSHIDA,H.SHIBAO,T.NAGAO,M.YOSHIDA,K.MATSUNAGA,J .TAKATA,Y.KARUBE,Y.I |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1694(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1694 |
| Molecular Weight | 929.153 g/mol |
| Sample ID | 55335 |
| Solvent | C5D5N |