| SpectraBase Compound ID | 54S7MZeFt8G |
|---|---|
| InChI | InChI=1S/C53H88O23/c1-48(2)14-23-22-8-9-29-50(5)12-11-31(75-47-43(68)39(64)36(61)27(74-47)20-71-45-41(66)38(63)35(60)26(73-45)19-70-44-40(65)33(58)24(56)18-69-44)49(3,4)28(50)10-13-51(29,6)52(22,7)15-30(57)53(23,21-55)16-32(48)76-46-42(67)37(62)34(59)25(17-54)72-46/h8,23-47,54-68H,9-21H2,1-7H3/t23-,24+,25+,26+,27+,28?,29?,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,45+,46-,47-,50-,51+,52+,53+/m0/s1 |
| InChIKey | HVYKAQPAZYFTGC-QXYFDFDWSA-N |
| Mol Weight | 1093.3 g/mol |
| Molecular Formula | C53H88O23 |
| Exact Mass | 1092.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DSuiiGw82B6 |
|---|---|
| Name | SITAKISOSIDE_XIV;DEACYLATED_SITAKISOSIDE_VI |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H88O23 |
| InChI | InChI=1S/C53H88O23/c1-48(2)14-23-22-8-9-29-50(5)12-11-31(75-47-43(68)39(64)36(61)27(74-47)20-71-45-41(66)38(63)35(60)26(73-45)19-70-44-40(65)33(58)24(56)18-69-44)49(3,4)28(50)10-13-51(29,6)52(22,7)15-30(57)53(23,21-55)16-32(48)76-46-42(67)37(62)34(59)25(17-54)72-46/h8,23-47,54-68H,9-21H2,1-7H3/t23-,24+,25+,26+,27+,28?,29?,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,45+,46-,47-,50-,51+,52+,53+/m0/s1 |
| InChIKey | HVYKAQPAZYFTGC-QXYFDFDWSA-N |
| Literature Reference Author | K.YOSHIKAWA,A.MIZUTANI,Y.KAN,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,62(1997) |
| Literature Reference DOI | 10.1248/cpb.45.62 |
| Molecular Weight | 1093.268 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ22124 |