| SpectraBase Compound ID | 22B7VcqELeu |
|---|---|
| InChI | InChI=1S/C48H78O17/c1-20-21(2)39-47(16-24(20)50)19-59-48(39)15-11-27-44(7)13-12-29(43(5,6)26(44)10-14-45(27,8)46(48,9)17-28(47)51)63-41-37(34(56)31(53)23(4)61-41)65-42-38(35(57)32(54)25(18-49)62-42)64-40-36(58)33(55)30(52)22(3)60-40/h11,15,20-42,49-58H,10,12-14,16-19H2,1-9H3/t20-,21-,22-,23+,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,44-,45+,46-,47-,48-/m0/s1 |
| InChIKey | QMTJQYFIEZNPTM-BLFCIBBMSA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C48H78O17 |
| Exact Mass | 926.523901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7VI11q5mCu3 |
|---|---|
| Name | ROTUNDIFOLIOSIDE-F;#9;13-BETA,28-EPOXY-16-ALPHA,21-BETA-DIHYDROXY-URS-11-EN-3-BETA-YL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O17 |
| InChI | InChI=1S/C48H78O17/c1-20-21(2)39-47(16-24(20)50)19-59-48(39)15-11-27-44(7)13-12-29(43(5,6)26(44)10-14-45(27,8)46(48,9)17-28(47)51)63-41-37(34(56)31(53)23(4)61-41)65-42-38(35(57)32(54)25(18-49)62-42)64-40-36(58)33(55)30(52)22(3)60-40/h11,15,20-42,49-58H,10,12-14,16-19H2,1-9H3/t20-,21-,22-,23+,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,44-,45+,46-,47-,48-/m0/s1 |
| InChIKey | QMTJQYFIEZNPTM-BLFCIBBMSA-N |
| Literature Reference Author | T.FUJIOKA,K.YOSHIDA,H.FUJII,T.NAGAO,H.OKABE,K.MIHASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,365(2003) |
| Literature Reference DOI | 10.1248/cpb.51.365 |
| Molecular Weight | 927.137 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21216 |