| 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
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| SpectraBase Spectrum ID | 18wDmXCGYYT |
|---|---|
| Name | BRA-7;ROTUNDIOSIDE-V |
| Compound Number | 17 |
| 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 | Y.NAKAHARA,M.OKAWA,J.KINJO,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1329(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1329 |
| Molecular Weight | 913.110 g/mol |
| Source File Reference | UWIR3694 |