| SpectraBase Compound ID | B4A9CyM81OU |
|---|---|
| InChI | InChI=1S/C47H78O18/c1-42(2)14-22-21-8-9-27-44(5)12-11-30(43(3,4)26(44)10-13-45(27,6)46(21,7)16-29(51)47(22,20-48)28(50)15-42)65-41-38(59)35(56)33(54)25(64-41)19-62-40-37(58)34(55)32(53)24(63-40)18-61-39-36(57)31(52)23(49)17-60-39/h8,22-41,48-59H,9-20H2,1-7H3/t22-,23+,24+,25+,26?,27?,28-,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,44-,45+,46+,47+/m0/s1 |
| InChIKey | XVDJGSUATAHRLH-KXZSJIJCSA-N |
| Mol Weight | 931.1 g/mol |
| Molecular Formula | C47H78O18 |
| Exact Mass | 930.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EkQvMwj0qaJ |
|---|---|
| Name | SITAKISOSIDE_XVII;DEACYLATED_SITAKISOSIDE_I |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H78O18 |
| InChI | InChI=1S/C47H78O18/c1-42(2)14-22-21-8-9-27-44(5)12-11-30(43(3,4)26(44)10-13-45(27,6)46(21,7)16-29(51)47(22,20-48)28(50)15-42)65-41-38(59)35(56)33(54)25(64-41)19-62-40-37(58)34(55)32(53)24(63-40)18-61-39-36(57)31(52)23(49)17-60-39/h8,22-41,48-59H,9-20H2,1-7H3/t22-,23+,24+,25+,26?,27?,28-,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,44-,45+,46+,47+/m0/s1 |
| InChIKey | XVDJGSUATAHRLH-KXZSJIJCSA-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 | 931.126 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ22128 |