| SpectraBase Compound ID | EiMgBlFkuJC |
|---|---|
| InChI | InChI=1S/C48H78O22S/c1-43(2)14-15-48(22(16-43)21-8-9-27-45(5)12-11-29(70-71(61,62)63)44(3,4)26(45)10-13-46(27,6)47(21,7)17-28(48)51)42(60)69-40-37(59)34(56)32(54)25(67-40)20-64-41-38(35(57)31(53)24(19-50)66-41)68-39-36(58)33(55)30(52)23(18-49)65-39/h8,22-41,49-59H,9-20H2,1-7H3,(H,61,62,63)/t22-,23+,24+,25+,26-,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,45-,46+,47+,48+/m0/s1 |
| InChIKey | LYWUVWLTUQWUEJ-NXIZOBNTSA-N |
| Mol Weight | 1039.2 g/mol |
| Molecular Formula | C48H78O22S |
| Exact Mass | 1038.470545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6yt5srCnHbl |
|---|---|
| Name | #6;ROTUNDIOSIDE-K;3-BETA-SULFATE-16-ALPHA-HYDROXY-OLEAN-12-ENE-28-OYL-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O22S |
| InChI | InChI=1S/C48H78O22S/c1-43(2)14-15-48(22(16-43)21-8-9-27-45(5)12-11-29(70-71(61,62)63)44(3,4)26(45)10-13-46(27,6)47(21,7)17-28(48)51)42(60)69-40-37(59)34(56)32(54)25(67-40)20-64-41-38(35(57)31(53)24(19-50)66-41)68-39-36(58)33(55)30(52)23(18-49)65-39/h8,22-41,49-59H,9-20H2,1-7H3,(H,61,62,63)/t22-,23+,24+,25+,26-,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,45-,46+,47+,48+/m0/s1 |
| InChIKey | LYWUVWLTUQWUEJ-NXIZOBNTSA-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 | 1039.194 g/mol |
| Sample ID | 55340 |
| Solvent | C5D5N |