| SpectraBase Compound ID | 5Nw3BmOBv0F |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-21-30(52)33(55)36(64-40-37(34(56)32(54)23(18-48)61-40)63-38-35(57)31(53)22(49)19-58-38)39(60-21)62-29-11-12-43(6)24(42(29,4)5)9-13-44(7)25(43)10-14-47-26-15-41(2,3)27(50)17-46(26,20-59-47)28(51)16-45(44,47)8/h10,14,21-40,48-57H,9,11-13,15-20H2,1-8H3/t21-,22-,23-,24+,25-,26-,27-,28-,29+,30+,31+,32-,33+,34+,35-,36-,37-,38+,39+,40+,43+,44-,45+,46-,47+/m1/s1 |
| InChIKey | ZCUQTZVOUTYBFB-GUUSSYIDSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Z65IG9mYqT |
|---|---|
| Name | #2;ROTUNDIOSIDE-Q;13-BETA,28-EPOXY-16-ALPHA,21-DIHYDROXY-OLEAN-11-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 | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-21-30(52)33(55)36(64-40-37(34(56)32(54)23(18-48)61-40)63-38-35(57)31(53)22(49)19-58-38)39(60-21)62-29-11-12-43(6)24(42(29,4)5)9-13-44(7)25(43)10-14-47-26-15-41(2,3)27(50)17-46(26,20-59-47)28(51)16-45(44,47)8/h10,14,21-40,48-57H,9,11-13,15-20H2,1-8H3/t21-,22-,23-,24+,25-,26-,27-,28-,29+,30+,31+,32-,33+,34+,35-,36-,37-,38+,39+,40+,43+,44-,45+,46-,47+/m1/s1 |
| InChIKey | ZCUQTZVOUTYBFB-GUUSSYIDSA-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 | 55324 |
| Solvent | C5D5N |