| SpectraBase Compound ID | 3tHsIiCizdE |
|---|---|
| InChI | InChI=1S/C48H80O17/c1-20-10-15-48(19-50)28(52)17-47(9)24(30(48)21(20)2)16-25(51)40-45(7)13-12-29(44(5,6)27(45)11-14-46(40,47)8)63-42-38(35(57)32(54)23(4)61-42)65-43-39(36(58)33(55)26(18-49)62-43)64-41-37(59)34(56)31(53)22(3)60-41/h16,20-23,25-43,49-59H,10-15,17-19H2,1-9H3/t20-,21+,22+,23-,25-,26-,27+,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41+,42+,43+,45+,46-,47-,48+/m1/s1 |
| InChIKey | ODNMPHSPFZBGIL-ROFLJYCZSA-N |
| Mol Weight | 929.2 g/mol |
| Molecular Formula | C48H80O17 |
| Exact Mass | 928.539551 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TWbJ3HGAQ7 |
|---|---|
| Name | ROTUNDIFOLIOSIDE-C;#11;11-ALPHA,16-ALPHA,28-TRIHYDROXY-URS-12-EN-3-BETA-YL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O17 |
| InChI | InChI=1S/C48H80O17/c1-20-10-15-48(19-50)28(52)17-47(9)24(30(48)21(20)2)16-25(51)40-45(7)13-12-29(44(5,6)27(45)11-14-46(40,47)8)63-42-38(35(57)32(54)23(4)61-42)65-43-39(36(58)33(55)26(18-49)62-43)64-41-37(59)34(56)31(53)22(3)60-41/h16,20-23,25-43,49-59H,10-15,17-19H2,1-9H3/t20-,21+,22+,23-,25-,26-,27+,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41+,42+,43+,45+,46-,47-,48+/m1/s1 |
| InChIKey | ODNMPHSPFZBGIL-ROFLJYCZSA-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 | 929.153 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21218 |