| SpectraBase Compound ID | 40uq7eQ09Zr |
|---|---|
| InChI | InChI=1S/C51H82O19/c1-24(52)32-15-18-51(57)49(32,8)37(66-29(6)53)23-36-48(7)16-14-31(19-30(48)13-17-50(36,51)56)67-38-20-33(58-9)43(26(3)62-38)68-39-21-34(59-10)44(27(4)63-39)69-40-22-35(60-11)45(28(5)64-40)70-47-42(55)46(61-12)41(54)25(2)65-47/h13,25-28,31-47,54-57H,14-23H2,1-12H3/t25-,26+,27-,28+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40-,41-,42-,43+,44-,45+,46+,47+,48-,49-,50-,51+/m0/s1 |
| InChIKey | HMXLELJPWZMAGS-KXHCNBKFSA-N |
| Mol Weight | 999.2 g/mol |
| Molecular Formula | C51H82O19 |
| Exact Mass | 998.54503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4bLLG0X84tY |
|---|---|
| Name | 12-O-ACETYLLINEOLON-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSID |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O19 |
| InChI | InChI=1S/C51H82O19/c1-24(52)32-15-18-51(57)49(32,8)37(66-29(6)53)23-36-48(7)16-14-31(19-30(48)13-17-50(36,51)56)67-38-20-33(58-9)43(26(3)62-38)68-39-21-34(59-10)44(27(4)63-39)69-40-22-35(60-11)45(28(5)64-40)70-47-42(55)46(61-12)41(54)25(2)65-47/h13,25-28,31-47,54-57H,14-23H2,1-12H3/t25-,26+,27-,28+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40-,41-,42-,43+,44-,45+,46+,47+,48-,49-,50-,51+/m0/s1 |
| InChIKey | HMXLELJPWZMAGS-KXHCNBKFSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,516(2000) |
| Literature Reference DOI | 10.1248/cpb.48.516 |
| Molecular Weight | 999.201 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5040 |