| SpectraBase Compound ID | BPNMON2a9Mb |
|---|---|
| InChI | InChI=1S/C47H70O23/c1-16-11-64-47(39(58)29(16)52)17(2)27-22-7-8-23-21(28(22)32(55)36(27)70-47)6-5-19-9-20(49)10-26(45(19,23)4)66-42-38(35(25(51)13-62-42)67-41-34(57)31(54)24(50)12-61-41)69-43-37(33(56)30(53)18(3)65-43)68-44-40(59)46(60,14-48)15-63-44/h5,16-18,20-21,23-27,29-31,33-44,48-54,56-60H,6-15H2,1-4H3/t16-,17-,18+,20+,21?,23?,24-,25+,26+,27?,29+,30+,31+,33-,34-,35+,36?,37-,38?,39-,40+,41+,42+,43+,44+,45-,46-,47+/m0/s1 |
| InChIKey | VGRDHVCVZRHVNO-YYFHRVSUSA-N |
| Mol Weight | 1003.1 g/mol |
| Molecular Formula | C47H70O23 |
| Exact Mass | 1002.430788 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LMcPO9aT0W9 |
|---|---|
| Name | DEOXYTRILLENOSIDE-A |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H70O23 |
| InChI | InChI=1S/C47H70O23/c1-16-11-64-47(39(58)29(16)52)17(2)27-22-7-8-23-21(28(22)32(55)36(27)70-47)6-5-19-9-20(49)10-26(45(19,23)4)66-42-38(35(25(51)13-62-42)67-41-34(57)31(54)24(50)12-61-41)69-43-37(33(56)30(53)18(3)65-43)68-44-40(59)46(60,14-48)15-63-44/h5,16-18,20-21,23-27,29-31,33-44,48-54,56-60H,6-15H2,1-4H3/t16-,17-,18+,20+,21?,23?,24-,25+,26+,27?,29+,30+,31+,33-,34-,35+,36?,37-,38?,39-,40+,41+,42+,43+,44+,45-,46-,47+/m0/s1 |
| InChIKey | VGRDHVCVZRHVNO-YYFHRVSUSA-N |
| Literature Reference Author | M.ONO,Y.YANAI,T.IKEDA,M.OKAWA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1328(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1328 |
| Molecular Weight | 1003.059 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20458 |