| SpectraBase Compound ID | 5wgkwCEtvA4 |
|---|---|
| InChI | InChI=1S/C49H82O18/c1-21-31(54)34(57)37(60)41(62-21)66-39-36(59)33(56)26(19-50)64-43(39)67-38-35(58)32(55)22(2)63-42(38)65-30-12-13-46(7)27(45(30,5)6)11-14-47(8)40(46)25(61-10)15-23-24-16-44(3,4)28(52)18-49(24,20-51)29(53)17-48(23,47)9/h15,21-22,24-43,50-60H,11-14,16-20H2,1-10H3/t21-,22+,24-,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 | STYVEYOSURATMR-CDMCJRJCSA-N |
| Mol Weight | 959.2 g/mol |
| Molecular Formula | C49H82O18 |
| Exact Mass | 958.550116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSiEX9xxYdY |
|---|---|
| Name | #11;ROTUNDIOSIDE-R;11-ALPHA-METHOXY-16-ALPHA,21-ALPHA,28-TRIHYDROXY-OLEAN-12-EN-3-BETA-YL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FU |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H82O18 |
| InChI | InChI=1S/C49H82O18/c1-21-31(54)34(57)37(60)41(62-21)66-39-36(59)33(56)26(19-50)64-43(39)67-38-35(58)32(55)22(2)63-42(38)65-30-12-13-46(7)27(45(30,5)6)11-14-47(8)40(46)25(61-10)15-23-24-16-44(3,4)28(52)18-49(24,20-51)29(53)17-48(23,47)9/h15,21-22,24-43,50-60H,11-14,16-20H2,1-10H3/t21-,22+,24-,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 | STYVEYOSURATMR-CDMCJRJCSA-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 | 959.179 g/mol |
| Sample ID | 55331 |
| Solvent | C5D5N |