| SpectraBase Compound ID | EIDDPpkHRSJ |
|---|---|
| InChI | InChI=1S/C47H76O16/c1-22-30(51)33(54)36(63-40-37(34(55)32(53)24(19-48)60-40)62-38-35(56)31(52)23(49)20-57-38)39(59-22)61-29-11-12-43(6)25(42(29,4)5)9-13-44(7)26(43)10-14-47-27-17-41(2,3)15-16-46(27,21-58-47)28(50)18-45(44,47)8/h10,14,22-40,48-56H,9,11-13,15-21H2,1-8H3/t22-,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 | LOMHITWHYXGWQO-SEUAUALZSA-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 | Adr4yWyTlLB |
|---|---|
| Name | ROTUNDIOSIDE-G |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O16 |
| InChI | InChI=1S/C47H76O16/c1-22-30(51)33(54)36(63-40-37(34(55)32(53)24(19-48)60-40)62-38-35(56)31(52)23(49)20-57-38)39(59-22)61-29-11-12-43(6)25(42(29,4)5)9-13-44(7)26(43)10-14-47-27-17-41(2,3)15-16-46(27,21-58-47)28(50)18-45(44,47)8/h10,14,22-40,48-56H,9,11-13,15-21H2,1-8H3/t22-,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 | LOMHITWHYXGWQO-SEUAUALZSA-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 | 55338 |
| Solvent | C5D5N |