| SpectraBase Compound ID | 6iWFGSPH5WC |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-22-31(53)34(56)37(64-41-38(35(57)33(55)26(18-48)61-41)63-39-36(58)32(54)25(51)19-59-39)40(60-22)62-30-11-12-43(4)27(44(30,5)20-49)10-13-45(6)28(43)9-8-23-24-16-42(2,3)14-15-47(24,21-50)29(52)17-46(23,45)7/h8-9,22,25-41,48-58H,10-21H2,1-7H3/t22-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,43+,44+,45-,46-,47-/m1/s1 |
| InChIKey | WQPVRECEROPAJJ-TWFPTENTSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Cau89VwaIPw |
|---|---|
| Name | #13;ROTUNDIOSIDE-V;16-ALPHA,23,28-TRIHYDROXY-OLEAN-11,13(18)-DIEN-3-BETA-YL-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-22-31(53)34(56)37(64-41-38(35(57)33(55)26(18-48)61-41)63-39-36(58)32(54)25(51)19-59-39)40(60-22)62-30-11-12-43(4)27(44(30,5)20-49)10-13-45(6)28(43)9-8-23-24-16-42(2,3)14-15-47(24,21-50)29(52)17-46(23,45)7/h8-9,22,25-41,48-58H,10-21H2,1-7H3/t22-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,43+,44+,45-,46-,47-/m1/s1 |
| InChIKey | WQPVRECEROPAJJ-TWFPTENTSA-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 | 913.110 g/mol |
| Sample ID | 55333 |
| Solvent | C5D5N |