| SpectraBase Compound ID | 8xys88bAuu3 |
|---|---|
| InChI | InChI=1S/C53H84O23/c1-22-32(59)36(63)39(66)43(70-22)74-41-33(60)25(57)20-69-45(41)76-47(68)53-15-14-48(2,3)16-24(53)23-8-9-29-49(4)12-11-31(50(5,21-56)28(49)10-13-51(29,6)52(23,7)17-30(53)58)73-46-42(38(65)35(62)27(19-55)72-46)75-44-40(67)37(64)34(61)26(18-54)71-44/h8,21-22,24-46,54-55,57-67H,9-20H2,1-7H3/t22-,24-,25-,26+,27+,28?,29?,30+,31-,32-,33-,34-,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,49-,50-,51+,52+,53+/m0/s1 |
| InChIKey | JKDDGBWITLYMDT-SDKTYYFUSA-N |
| Mol Weight | 1089.2 g/mol |
| Molecular Formula | C53H84O23 |
| Exact Mass | 1088.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAoMIjaM9kS |
|---|---|
| Name | DUBIOSIDE-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O23 |
| InChI | InChI=1S/C53H84O23/c1-22-32(59)36(63)39(66)43(70-22)74-41-33(60)25(57)20-69-45(41)76-47(68)53-15-14-48(2,3)16-24(53)23-8-9-29-49(4)12-11-31(50(5,21-56)28(49)10-13-51(29,6)52(23,7)17-30(53)58)73-46-42(38(65)35(62)27(19-55)72-46)75-44-40(67)37(64)34(61)26(18-54)71-44/h8,21-22,24-46,54-55,57-67H,9-20H2,1-7H3/t22-,24-,25-,26+,27+,28?,29?,30+,31-,32-,33-,34-,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,49-,50-,51+,52+,53+/m0/s1 |
| InChIKey | JKDDGBWITLYMDT-SDKTYYFUSA-N |
| Literature Reference Author | B.S.JOSHI,K.M.MOORE,S.W.PELLETIER,M.S.PUAR,B.N.PRAMANIK |
| Literature Reference Citation | J.NAT.PROD.,55,1468(1992) |
| Literature Reference DOI | 10.1021/np50088a013 |
| Molecular Weight | 1089.236 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS5625 |