| 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
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| SpectraBase Spectrum ID | E7U84frwaXz |
|---|---|
| Name | BRA-4;ROTUNDIOSIDE-W |
| Compound Number | 16 |
| 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 | 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 | 897.111 g/mol |
| Source File Reference | UWIR3693 |