| SpectraBase Compound ID | EOJdySm509A |
|---|---|
| InChI | InChI=1S/C48H80O18/c1-22-31(54)34(57)37(66-42-38(35(58)33(56)27(18-49)63-42)65-40-36(59)32(55)25(52)19-61-40)41(62-22)64-30-10-11-44(4)28(45(30,5)20-50)9-12-46(6)39(44)26(60-8)15-23-24-16-43(2,3)13-14-48(24,21-51)29(53)17-47(23,46)7/h15,22,24-42,49-59H,9-14,16-21H2,1-8H3/t22-,24+,25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,44+,45+,46-,47-,48-/m1/s1 |
| InChIKey | OCRSGUCOADYWMQ-SOEGQILYSA-N |
| Mol Weight | 945.1 g/mol |
| Molecular Formula | C48H80O18 |
| Exact Mass | 944.534466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mrRYQQmF2Q |
|---|---|
| Name | #12;ROTUNDIOSIDE-U;11-ALPHA-METHOXY-16-ALPHA,23,28-TRIHYDROXY-OLEAN-12-EN-3-BETA-YL-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O18 |
| InChI | InChI=1S/C48H80O18/c1-22-31(54)34(57)37(66-42-38(35(58)33(56)27(18-49)63-42)65-40-36(59)32(55)25(52)19-61-40)41(62-22)64-30-10-11-44(4)28(45(30,5)20-50)9-12-46(6)39(44)26(60-8)15-23-24-16-43(2,3)13-14-48(24,21-51)29(53)17-47(23,46)7/h15,22,24-42,49-59H,9-14,16-21H2,1-8H3/t22-,24+,25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,44+,45+,46-,47-,48-/m1/s1 |
| InChIKey | OCRSGUCOADYWMQ-SOEGQILYSA-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 | 945.152 g/mol |
| Sample ID | 55332 |
| Solvent | C5D5N |