| SpectraBase Compound ID | L6tyW19mQSz |
|---|---|
| InChI | InChI=1S/C47H76O16/c1-22-31(52)34(55)37(63-41-38(35(56)33(54)26(19-48)60-41)62-39-36(57)32(53)25(50)20-58-39)40(59-22)61-30-12-13-44(6)27(43(30,4)5)11-14-45(7)28(44)10-9-23-24-17-42(2,3)15-16-47(24,21-49)29(51)18-46(23,45)8/h9-10,22,25-41,48-57H,11-21H2,1-8H3/t22-,25-,26-,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,44+,45-,46-,47-/m1/s1 |
| InChIKey | GWDRPRWADKYHLP-ZCUSHYMQSA-N |
| Mol Weight | 897.1 g/mol |
| Molecular Formula | C47H76O16 |
| Exact Mass | 896.513336 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 | HLGMFiw09H4 |
|---|---|
| Name | #14;ROTUNDIOSIDE-W;16-ALPHA,28-DIHYDROXY-OLEAN-11,13(18)-DIEN-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 | C47H76O16 |
| InChI | InChI=1S/C47H76O16/c1-22-31(52)34(55)37(63-41-38(35(56)33(54)26(19-48)60-41)62-39-36(57)32(53)25(50)20-58-39)40(59-22)61-30-12-13-44(6)27(43(30,4)5)11-14-45(7)28(44)10-9-23-24-17-42(2,3)15-16-47(24,21-49)29(51)18-46(23,45)8/h9-10,22,25-41,48-57H,11-21H2,1-8H3/t22-,25-,26-,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,44+,45-,46-,47-/m1/s1 |
| InChIKey | GWDRPRWADKYHLP-ZCUSHYMQSA-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 | 897.111 g/mol |
| Sample ID | 55334 |
| Solvent | C5D5N |