| SpectraBase Compound ID | 1Aq1eT3be7 |
|---|---|
| InChI | InChI=1S/C49H82O17/c1-22-31(53)34(56)37(59)41(61-22)65-39-36(58)33(55)27(20-50)63-43(39)66-38-35(57)32(54)23(2)62-42(38)64-30-12-13-46(7)28(45(30,5)6)11-14-47(8)40(46)26(60-10)17-24-25-18-44(3,4)15-16-49(25,21-51)29(52)19-48(24,47)9/h17,22-23,25-43,50-59H,11-16,18-21H2,1-10H3/t22-,23+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,46-,47+,48+,49+/m0/s1 |
| InChIKey | HCYLTRZKHWGEIZ-DFMVNHDZSA-N |
| Mol Weight | 943.2 g/mol |
| Molecular Formula | C49H82O17 |
| Exact Mass | 942.555201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZOfdJYehzG |
|---|---|
| Name | #16;ROTUNDIOSIDE-Y;11-ALPHA-METHOXY-16-ALPHA,28-DIHYDROXY-OLEAN-12-EN-3-BETA-YL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSI |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H82O17 |
| InChI | InChI=1S/C49H82O17/c1-22-31(53)34(56)37(59)41(61-22)65-39-36(58)33(55)27(20-50)63-43(39)66-38-35(57)32(54)23(2)62-42(38)64-30-12-13-46(7)28(45(30,5)6)11-14-47(8)40(46)26(60-10)17-24-25-18-44(3,4)15-16-49(25,21-51)29(52)19-48(24,47)9/h17,22-23,25-43,50-59H,11-16,18-21H2,1-10H3/t22-,23+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,46-,47+,48+,49+/m0/s1 |
| InChIKey | HCYLTRZKHWGEIZ-DFMVNHDZSA-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 | 943.180 g/mol |
| Sample ID | 55336 |
| Solvent | C5D5N |